(-)-Tubifolidine as strychnos indole alkaloid: Spectroscopic charactarization (FT-IR, NMR, UV-Vis), antioxidant activity, molecular docking, and DFT studies
•Synthesis and characterization of (-)- tubifolidine through a new developed route.•FT-IR, NMR, UV-Vis studies were performed and compared with the calculated results.•Antioxidant potency were investigated.•Molecular docking studies were performed.•FMO and NBO analyses were conducted. Strychnos indo...
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| Published in | Journal of molecular structure Vol. 1244; p. 130978 |
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| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
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Elsevier B.V
15.11.2021
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| Abstract | •Synthesis and characterization of (-)- tubifolidine through a new developed route.•FT-IR, NMR, UV-Vis studies were performed and compared with the calculated results.•Antioxidant potency were investigated.•Molecular docking studies were performed.•FMO and NBO analyses were conducted.
Strychnos indole alkaloids, which include tubifolidine (2) and are an important group of complex and interesting natural compounds as bio-actives, antioxidants as well as ABCDE ring system. Four different procedures have been employed for the tubifolidine: (i) spectroscopic characterization; (ii) antioxidant activity; (iii) molecular docking, and (iv) DFT studies. The spectroscopic characterization of tubifolidine was performed by FT-IR, NMR, and UV-Vis techniques, and elemental analysis. The antioxidant activity was explored by the DPPH method and molecular docking was used to enlighten the possible interaction of the tubifolidine with the topoisomerase receptor. The DFT/B3LYP/6–311++G(df,pd) level was used for geometry optimization, structure verification and to calculate the reactivity descriptors of tubifolidine. Besides, TD-DFT/B3LYP level was used to evaluate the electronic spectra and main excitations: the results revealed that the observed peak at 292 and 254 nm were mainly associated with n→ Π* and Π→ Π* transitions, and a bit σ → Π*. Besides, the n→ Π* and Π→ Π* transitions in the ground state contributed to the lowering stability of tubifolidine. FMO analysis displayed that the electro-donating power was dominant over the electroaccepting capability of tubifolidine.
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| AbstractList | •Synthesis and characterization of (-)- tubifolidine through a new developed route.•FT-IR, NMR, UV-Vis studies were performed and compared with the calculated results.•Antioxidant potency were investigated.•Molecular docking studies were performed.•FMO and NBO analyses were conducted.
Strychnos indole alkaloids, which include tubifolidine (2) and are an important group of complex and interesting natural compounds as bio-actives, antioxidants as well as ABCDE ring system. Four different procedures have been employed for the tubifolidine: (i) spectroscopic characterization; (ii) antioxidant activity; (iii) molecular docking, and (iv) DFT studies. The spectroscopic characterization of tubifolidine was performed by FT-IR, NMR, and UV-Vis techniques, and elemental analysis. The antioxidant activity was explored by the DPPH method and molecular docking was used to enlighten the possible interaction of the tubifolidine with the topoisomerase receptor. The DFT/B3LYP/6–311++G(df,pd) level was used for geometry optimization, structure verification and to calculate the reactivity descriptors of tubifolidine. Besides, TD-DFT/B3LYP level was used to evaluate the electronic spectra and main excitations: the results revealed that the observed peak at 292 and 254 nm were mainly associated with n→ Π* and Π→ Π* transitions, and a bit σ → Π*. Besides, the n→ Π* and Π→ Π* transitions in the ground state contributed to the lowering stability of tubifolidine. FMO analysis displayed that the electro-donating power was dominant over the electroaccepting capability of tubifolidine.
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| ArticleNumber | 130978 |
| Author | Serdaroğlu, Goncagul Rajkumar, Parthasarathi Sugumar, Paramasivam Uludag, Nesimi |
| Author_xml | – sequence: 1 givenname: Goncagul surname: Serdaroğlu fullname: Serdaroğlu, Goncagul email: serdaroglu@cumhuriyet.edu.tr organization: Faculty of Education, Mathematics and Science Education, Sivas Cumhuriyet University, Sivas 58040, Turkey – sequence: 2 givenname: Nesimi surname: Uludag fullname: Uludag, Nesimi email: nuludag@nku.edu.tr organization: Department of Chemistry, Namık Kemal University, Tekirdag 59030, Turkey – sequence: 3 givenname: Paramasivam surname: Sugumar fullname: Sugumar, Paramasivam organization: CAS in Crystallography and Biophysics, University of Madras, Chennai 600025, India – sequence: 4 givenname: Parthasarathi surname: Rajkumar fullname: Rajkumar, Parthasarathi organization: PG and Research Department of Physics, King Nandhivarman College of Arts and Science, Thellar, Tamil Nadu 604406, India |
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| Cites_doi | 10.1016/j.molliq.2021.115977 10.1016/j.ijbiomac.2021.03.128 10.1021/ja983494x 10.1021/jp065459f 10.1074/jbc.M506520200 10.3987/COM-07-11190 10.1016/j.molstruc.2021.130448 10.1016/j.molstruc.2017.11.032 10.1016/S0957-4166(97)00071-2 10.1016/S0031-8914(34)90011-2 10.1016/j.molstruc.2020.128862 10.1007/s10600-021-03394-y 10.1063/1.449360 10.1016/j.ejmech.2011.08.010 10.1016/j.molstruc.2018.04.050 10.1021/jo00313a017 10.1021/jp057143y 10.1021/cr00088a005 10.1039/C5NP00032G 10.1063/1.464304 10.1016/S0009-2614(99)00646-6 10.1007/s11224-016-0898-3 10.1007/s11164-019-04020-x 10.1080/00304948.2019.1600129 10.20450/mjcce.2020.1736 10.1002/ptr.1719 10.1103/PhysRevB.37.785 10.1021/ja00179a005 10.1007/s00894-021-04742-z 10.1021/jo981069g 10.1039/C2CS35394F 10.1016/j.molliq.2020.114847 10.1016/j.molliq.2021.115544 10.1039/c005345g 10.1016/j.jorganchem.2016.05.001 10.17776/csj.356185 10.1021/ja00544a007 10.1177/1747519819875859 10.1016/j.molliq.2020.113509 10.1002/qua.22512 10.1016/j.molliq.2021.115651 10.1021/jp810292n 10.1063/1.449486 10.1016/j.foodchem.2007.12.012 10.1002/qua.22809 10.1063/1.475855 10.1021/ja01647a088 10.1021/acs.orglett.0c00912 10.1021/acs.orglett.1c00735 10.1016/j.molstruc.2018.02.046 10.17776/csj.349241 10.1016/j.molstruc.2020.129796 10.1073/pnas.83.22.8440 10.1134/S0022476619080079 10.1063/1.2173258 10.1016/j.molliq.2020.114942 10.1039/b902521a 10.1080/00304948.2020.1780886 10.1007/s11696-021-01513-1 10.1186/1758-2946-1-15 10.1021/ja00364a005 10.1016/j.heliyon.2020.e04105 10.1016/j.vibspec.2020.103156 10.1021/acs.orglett.7b00669 10.1111/j.1747-0285.2011.01216.x 10.1063/1.447079 10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B 10.1039/C5CP02079D 10.1134/S0022476621010029 |
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| References | Katahara, Sugiyama, Yamane, Komiya, Sato, Chida (bib0067) 2021; 23 Kupka (bib0065) 2020; 46 Pearson (bib0045) 1986; 83 Gomez, Likhanova, Domínguez-Aguilar, Martínez-Palou, Vela, Gazquez (bib0047) 2006; 110 Uludag, Serdaroglu, Colak (bib0014) 2019; 96 Padmaja, Rajasekhar, Muralikrishna, Padmavathi (bib0020) 2011; 46 Wei, Ruthenburg, Bechis, Verdine (bib0024) 2005; 280 Uludag (bib0017) 2021; 57 Scalmani, Frisch, Mennucci, Tomasi, Cammi, Barone (bib0034) 2006; 124 Wolinski, Hinton, Pulay (bib0032) 1990; 112 Casida, Jamorski, Casida, Salahub (bib0033) 1998; 108 Serdaroğlu (bib0053) 2011; 111 Cao, Malekshah, Heidari, Pelalak, Marjani, Shirazian (bib0079) 2021; 330 Rad, Shahavi, Esfahani, Darvishinia, Ahmadizadeh (bib0077) 2021; 322 Serdaroğlu, Ortiz (bib0055) 2017; 28 Elik, Serdaroğlu (bib0071) 2017; 38 Parr, Pearson (bib0044) 1983; 105 Shkoor, Mehanna, Shabana, Farhat, Bani-Yaseen (bib0069) 2020; 313 Uludağ, Serdaroğlu, Yinanc (bib0066) 2018; 1161 Chinnasami, Paulraj, Ramasamy (bib0078) 2021; 1238 Gazquez, Cedillo, Vela (bib0046) 2007; 111 Reed, Weinhold (bib0050) 1985; 83 Koopmans (bib0042) 1934; 1 Ishikura, Yamada, Abe (bib0009) 2010; 27 Kim, Kim, Jeon, Cho (bib0011) 2020; 22 Uludağ, Serdaroğlu (bib0060) 2019; 4 Gammack Yamagata, Dixon (bib0003) 2017; 19 Marenich, Cramer, Truhlar (bib0052) 2009; 113 Uludag (bib0008) 2020; 39 (bib0039) 2016 Frisch, Pople, Binkley (bib0029) 1984; 80 Serdaroglu, Uludağ (bib0064) 2018; 50 Frisch, Trucks, Schlegel, Scuseria, Robb, Cheeseman, Scalmani, Barone, Mennucci, Petersson, Nakatsuji, Caricato, Li, Hratchian, Izmaylov, Bloino, Zheng, Sonnenberg, Hada, Ehara, Toyota, Fukuda, Hasegawa, Ishida, Nakajima, Honda, Kitao, Nakai, Vreven, Montgomery, Peralta, Ogliaro, Bearpark, Heyd, Brothers, Kudin, Staroverov, Keith, Kobayashi, Normand, Raghavachari, Rendell, Burant, Iyengar, Tomasi, Cossi, Rega, Millam, Klene, Knox, Cross, Bakken, Adamo, Jaramillo, Gomperts, Stratmann, Yazyev, Austin, Cammi, Pomelli, Ochterski, Martin, Morokuma, Zakrzewski, Voth, Salvador, Dannenberg, Dapprich, Daniels, Farkas, Foresman, Ortiz, Cioslowski, Fox (bib0038) 2013 Hill (bib0041) 1962 Woodward, Cava, Ollis, Hunger, Dainker, Schenker (bib0013) 1954; 76 Morris, Goodsell, Halliday, Huey, Hart, Belew, Olson (bib0026) 1998; 19 Ishikura, Abe, Choshi, Hibino (bib0010) 2015; 32 Uludag, Serdaroglu (bib0015) 2018; 1155 Serdaroglu, Uludag, Ercag, Sugumar, Rajkumar (bib0019) 2021; 330 Katerere, Eloff (bib0022) 2005; 19 Van Caillie, Amos (bib0035) 1999; 308 Bisby, Brooke, Navaratnam (bib0021) 2008; 108 Mirzaeva, Kozlova, Krisyuk (bib0072) 2021; 62 Serdaroğlu (bib0054) 2011; 111 Importa, Ferrante, Bozioc, Barone (bib0037) 2009; 11 Serdaroglu, Uludağ (bib0063) 2019; 43 Uludag (bib0005) 2019; 51 Bejaoui, Brahmia, Marzouki, Dusek, Eigner, Serdaroğlu, Kaya, El Bour, Ben Hassen (bib0062) 2020; 1221 Ishikura, Takahashi, Yamada, Abe (bib0012) 2008; 75 Jamroz (bib0031) 2004 Ivannnikov, Laguta, Stavinskaya, Kuzema, Skorochhod, Roy (bib0018) 2021; 75 Al-Otaibi, Mary, Mary, Serdaroglu (bib0068) 2021; 27 Serdaroglu, Durmaz (bib0057) 2010; 49 Bikadi, Hazai (bib0025) 2009; 1 Shimiziu, Ohori, Arai, Sasai, Shibasaki (bib0001) 1998; 63 Uludag, Duran (bib0006) 2020; 52 Parr, Szentpaly, Liu (bib0043) 1999; 121 Lee, Yang, Parr (bib0028) 1988; 37 McQuarrie (bib0040) 1973 Serdaroğlu, Elik (bib0056) 2017; 38 Amat, Linares, Bosch (bib0002) 1990; 55 Serdaroglu, Uludag (bib0007) 2018; 1166 Serdaroğlu (bib0059) 2020; 46 Reed, Curtiss, Weinhold (bib0051) 1988; 88 Serdaroğlu, Uludağ (bib0061) 2019; 60 Baybaş, Serdaroğlu, Semerci (bib0073) 2021; 181 Suzen, Cihaner, Coban (bib0023) 2012; 79 Üstün, Koç, Demir, Özdemir (bib0070) 2016; 815 Serdaroglu, Uludag (bib0016) 2020; 111 Barnes, Schindler, Allouche, Simon, Chambert, Oomens, Compagnon (bib0030) 2015; 17 Adamo, Jacquemin (bib0036) 2013; 42 Altalhi, Hashem, Negm, Mohamed, Azmy (bib0074) 2021; 333 Amat, Coll, Bosch, Espinosa, Mollins (bib0004) 1997; 8 Becke (bib0027) 1993; 98 Foster, Weinhold (bib0048) 1980; 102 Reed, Weinstock, Weinhold (bib0049) 1985; 83 Kumar, Dhanda (bib0076) 2021; 327 Uludağ, Serdaroğlu (bib0058) 2020; 6 Li, Guo, Feng, Xie, Dong (bib0075) 2021; 1228 Serdaroglu (10.1016/j.molstruc.2021.130978_bib0016) 2020; 111 Van Caillie (10.1016/j.molstruc.2021.130978_bib0035) 1999; 308 Uludağ (10.1016/j.molstruc.2021.130978_bib0060) 2019; 4 Serdaroğlu (10.1016/j.molstruc.2021.130978_bib0053) 2011; 111 Uludag (10.1016/j.molstruc.2021.130978_bib0014) 2019; 96 Li (10.1016/j.molstruc.2021.130978_bib0075) 2021; 1228 Bisby (10.1016/j.molstruc.2021.130978_bib0021) 2008; 108 Shimiziu (10.1016/j.molstruc.2021.130978_bib0001) 1998; 63 Ivannnikov (10.1016/j.molstruc.2021.130978_bib0018) 2021; 75 Woodward (10.1016/j.molstruc.2021.130978_bib0013) 1954; 76 Frisch (10.1016/j.molstruc.2021.130978_bib0038) 2013 Wei (10.1016/j.molstruc.2021.130978_bib0024) 2005; 280 Serdaroğlu (10.1016/j.molstruc.2021.130978_bib0056) 2017; 38 Uludağ (10.1016/j.molstruc.2021.130978_bib0058) 2020; 6 Suzen (10.1016/j.molstruc.2021.130978_bib0023) 2012; 79 Serdaroğlu (10.1016/j.molstruc.2021.130978_bib0055) 2017; 28 Adamo (10.1016/j.molstruc.2021.130978_bib0036) 2013; 42 Gomez (10.1016/j.molstruc.2021.130978_bib0047) 2006; 110 Reed (10.1016/j.molstruc.2021.130978_bib0051) 1988; 88 Serdaroğlu (10.1016/j.molstruc.2021.130978_bib0059) 2020; 46 Üstün (10.1016/j.molstruc.2021.130978_bib0070) 2016; 815 Kumar (10.1016/j.molstruc.2021.130978_bib0076) 2021; 327 Gazquez (10.1016/j.molstruc.2021.130978_bib0046) 2007; 111 Reed (10.1016/j.molstruc.2021.130978_bib0050) 1985; 83 Serdaroglu (10.1016/j.molstruc.2021.130978_bib0063) 2019; 43 Elik (10.1016/j.molstruc.2021.130978_bib0071) 2017; 38 Uludag (10.1016/j.molstruc.2021.130978_bib0015) 2018; 1155 Pearson (10.1016/j.molstruc.2021.130978_bib0045) 1986; 83 Ishikura (10.1016/j.molstruc.2021.130978_bib0010) 2015; 32 Katerere (10.1016/j.molstruc.2021.130978_bib0022) 2005; 19 Wolinski (10.1016/j.molstruc.2021.130978_bib0032) 1990; 112 Serdaroğlu (10.1016/j.molstruc.2021.130978_bib0061) 2019; 60 Koopmans (10.1016/j.molstruc.2021.130978_bib0042) 1934; 1 Uludag (10.1016/j.molstruc.2021.130978_bib0017) 2021; 57 Serdaroglu (10.1016/j.molstruc.2021.130978_bib0019) 2021; 330 (10.1016/j.molstruc.2021.130978_bib0039) 2016 Ishikura (10.1016/j.molstruc.2021.130978_bib0012) 2008; 75 Mirzaeva (10.1016/j.molstruc.2021.130978_bib0072) 2021; 62 Chinnasami (10.1016/j.molstruc.2021.130978_bib0078) 2021; 1238 Shkoor (10.1016/j.molstruc.2021.130978_bib0069) 2020; 313 Kim (10.1016/j.molstruc.2021.130978_bib0011) 2020; 22 McQuarrie (10.1016/j.molstruc.2021.130978_bib0040) 1973 Importa (10.1016/j.molstruc.2021.130978_bib0037) 2009; 11 Amat (10.1016/j.molstruc.2021.130978_bib0002) 1990; 55 Casida (10.1016/j.molstruc.2021.130978_bib0033) 1998; 108 Parr (10.1016/j.molstruc.2021.130978_bib0043) 1999; 121 Rad (10.1016/j.molstruc.2021.130978_bib0077) 2021; 322 Katahara (10.1016/j.molstruc.2021.130978_bib0067) 2021; 23 Jamroz (10.1016/j.molstruc.2021.130978_bib0031) 2004-2010 Uludağ (10.1016/j.molstruc.2021.130978_bib0066) 2018; 1161 Lee (10.1016/j.molstruc.2021.130978_bib0028) 1988; 37 Kupka (10.1016/j.molstruc.2021.130978_bib0065) 2020; 46 Barnes (10.1016/j.molstruc.2021.130978_bib0030) 2015; 17 Scalmani (10.1016/j.molstruc.2021.130978_bib0034) 2006; 124 Cao (10.1016/j.molstruc.2021.130978_bib0079) 2021; 330 Serdaroğlu (10.1016/j.molstruc.2021.130978_bib0054) 2011; 111 Serdaroglu (10.1016/j.molstruc.2021.130978_bib0007) 2018; 1166 Foster (10.1016/j.molstruc.2021.130978_bib0048) 1980; 102 Bejaoui (10.1016/j.molstruc.2021.130978_bib0062) 2020; 1221 Padmaja (10.1016/j.molstruc.2021.130978_bib0020) 2011; 46 Parr (10.1016/j.molstruc.2021.130978_bib0044) 1983; 105 Serdaroglu (10.1016/j.molstruc.2021.130978_bib0057) 2010; 49 Al-Otaibi (10.1016/j.molstruc.2021.130978_bib0068) 2021; 27 Ishikura (10.1016/j.molstruc.2021.130978_bib0009) 2010; 27 Baybaş (10.1016/j.molstruc.2021.130978_bib0073) 2021; 181 Hill (10.1016/j.molstruc.2021.130978_bib0041) 1962 Marenich (10.1016/j.molstruc.2021.130978_bib0052) 2009; 113 Amat (10.1016/j.molstruc.2021.130978_bib0004) 1997; 8 Serdaroglu (10.1016/j.molstruc.2021.130978_bib0064) 2018; 50 Becke (10.1016/j.molstruc.2021.130978_bib0027) 1993; 98 Frisch (10.1016/j.molstruc.2021.130978_bib0029) 1984; 80 Uludag (10.1016/j.molstruc.2021.130978_bib0006) 2020; 52 Uludag (10.1016/j.molstruc.2021.130978_bib0008) 2020; 39 Reed (10.1016/j.molstruc.2021.130978_bib0049) 1985; 83 Gammack Yamagata (10.1016/j.molstruc.2021.130978_bib0003) 2017; 19 Uludag (10.1016/j.molstruc.2021.130978_bib0005) 2019; 51 Bikadi (10.1016/j.molstruc.2021.130978_bib0025) 2009; 1 Morris (10.1016/j.molstruc.2021.130978_bib0026) 1998; 19 Altalhi (10.1016/j.molstruc.2021.130978_bib0074) 2021; 333 |
| References_xml | – volume: 79 start-page: 76 year: 2012 end-page: 83 ident: bib0023 article-title: Synthesis and Comparison of Antioxidant Properties of Indole-Based Melatonin Analogue Indole Amino Acid Derivatives publication-title: Chem. Bio. Drug. Des. contributor: fullname: Coban – volume: 8 start-page: 935 year: 1997 end-page: 948 ident: bib0004 article-title: Total syntheses of the Strychnos indole alkaloids(−)-tubifoline, (−)-tubifolidine, and (−)-19,20-dihydroakuammicine publication-title: Tetrahedron Asymmetry contributor: fullname: Mollins – volume: 112 start-page: 8251 year: 1990 end-page: 8260 ident: bib0032 article-title: Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations publication-title: J. Am. Chem. Soc. contributor: fullname: Pulay – volume: 57 start-page: 491 year: 2021 end-page: 496 ident: bib0017 article-title: An Effective Approach to the Strychnos Alkaloids: Total Synthesis of Tubifolidine publication-title: Chem. Nat. Compd. contributor: fullname: Uludag – volume: 46 start-page: 1 year: 2020 end-page: 33 ident: bib0065 article-title: Theory and computation of nuclear shielding publication-title: Nucl. Magn. Resonan. contributor: fullname: Kupka – volume: 11 start-page: 4664 year: 2009 end-page: 4673 ident: bib0037 article-title: The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TD-DFT study publication-title: Phys. Chem. Chem. Phys. contributor: fullname: Barone – volume: 102 start-page: 7211 year: 1980 end-page: 7218 ident: bib0048 article-title: Natural hybrid orbitals publication-title: J. Am. Chem. Soc. contributor: fullname: Weinhold – volume: 83 start-page: 735 year: 1985 end-page: 746 ident: bib0049 article-title: Natural population analysis publication-title: J. Chem. Phys. contributor: fullname: Weinhold – volume: 46 start-page: 5034 year: 2011 end-page: 5038 ident: bib0020 article-title: Synthesis and antioxidant activity of oxazolyl/thiazolylsulfonylmethyl pyrazoles and isoxazoles publication-title: Eur. J. Med. Chem. contributor: fullname: Padmavathi – volume: 181 start-page: 322 year: 2021 end-page: 338 ident: bib0073 article-title: The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations publication-title: Int. J. Biol. Macromol. contributor: fullname: Semerci – volume: 1221 year: 2020 ident: bib0062 article-title: Synthesis, crystal structure, hirshfeld surface analysis, spectroscopic, biological and first-principles studies of novel aminocoumarins publication-title: J. Mol. Struct. contributor: fullname: Ben Hassen – volume: 19 start-page: 1894 year: 2017 end-page: 1897 ident: bib0003 article-title: Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids publication-title: Org. Lett. contributor: fullname: Dixon – volume: 308 start-page: 249 year: 1999 end-page: 255 ident: bib0035 article-title: Geometric derivatives of excitation energies using SCF and DFT publication-title: Chem. Phys. Lett. contributor: fullname: Amos – volume: 43 start-page: 531 year: 2019 end-page: 541 ident: bib0063 article-title: The synthesis and spectroscopic characterization of (+)-demethoxyaspidospermine: Density functional theory calculations of the structural, electronic, and non-linear optic and spectroscopic properties publication-title: J. Chem. Res. contributor: fullname: Uludağ – volume: 1 start-page: 104 year: 1934 end-page: 113 ident: bib0042 article-title: Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms publication-title: Physica contributor: fullname: Koopmans – volume: 111 start-page: 3938 year: 2011 end-page: 3948 ident: bib0054 article-title: DFT and Ab initio computational study on the reactivity sites of the GABA and its agonists, such as CACA, TACA, DABA, and muscimol: In the gas phase and dielectric media publication-title: Int. J. Quantum. Chem. contributor: fullname: Serdaroğlu – volume: 46 start-page: 961 year: 2020 end-page: 982 ident: bib0059 article-title: Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties publication-title: Res. Chem. Intermediat. contributor: fullname: Serdaroğlu – volume: 1228 year: 2021 ident: bib0075 article-title: An investigation into three-dimensional octahedral multi-nuclear Ni(II)-based complexes supported by a more flexible salamo-type ligand publication-title: J. Mol. Struct. contributor: fullname: Dong – year: 2013 ident: bib0038 article-title: Gaussian 09 W, Revision D.01 contributor: fullname: Fox – volume: 37 start-page: 785 year: 1988 end-page: 789 ident: bib0028 article-title: Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density publication-title: Phys. Rev. B contributor: fullname: Parr – volume: 98 start-page: 1372 year: 1993 end-page: 1377 ident: bib0027 article-title: A new mixing of Hartree–Fock and local density‐functional theories publication-title: J. Chem. Phys. contributor: fullname: Becke – volume: 28 start-page: 957 year: 2017 end-page: 964 ident: bib0055 article-title: Ab Initio Calculations on some Antiepileptic Drugs such as Phenytoin, Phenbarbital, Ethosuximide and Carbamazepine publication-title: Struct. Chem. contributor: fullname: Ortiz – year: 2016 ident: bib0039 article-title: GaussView 6.0.16 – volume: 1238 year: 2021 ident: bib0078 article-title: Bulk crystal growth, spectroscopic, hirshfeld surface analysis, physicochemical and quantum chemical investigations on 2-ethylimidazolium d -tartrate single crystal publication-title: J. Mol. Struct. contributor: fullname: Ramasamy – volume: 96 start-page: 1221 year: 2019 end-page: 1226 ident: bib0014 article-title: An efficient method for the azocino[4,3-b]indole framework of strychnos alkaloids: DFT investigations on the electronic and spectroscopic properties publication-title: J. Indian. Chem.Soc. contributor: fullname: Colak – volume: 6 start-page: e04105 year: 2020 ident: bib0058 article-title: New route for synthesis of 2-(2,2-dimethoxyethyl)-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[4,3-b]indole and DFT investigation publication-title: Heliyon contributor: fullname: Serdaroğlu – volume: 23 start-page: 3058 year: 2021 end-page: 3063 ident: bib0067 article-title: Five-Step Total Synthesis of (±)-Aspidospermidine by a Lactam Strategy via an Azomethine Ylide publication-title: Org. Lett. contributor: fullname: Chida – year: 2004 ident: bib0031 article-title: Vibrational Energy Distribution Analysis VEDA 4 contributor: fullname: Jamroz – volume: 49 start-page: 861 year: 2010 end-page: 866 ident: bib0057 article-title: DFT and statistical mechanics entropy calculations of diatomic and polyatomic molecules publication-title: Indian J. Chem. contributor: fullname: Durmaz – volume: 63 start-page: 7547 year: 1998 end-page: 7751 ident: bib0001 article-title: A Catalytic Asymmetric Synthesis of Tubifolidine publication-title: J. Org Chem. contributor: fullname: Shibasaki – volume: 19 start-page: 779 year: 2005 end-page: 781 ident: bib0022 article-title: Antibacterial and antioxidant activity of Sutherlandia frutescens (Fabaceae), a reputed Anti-HIV/AIDS phytomedicine publication-title: Phytother Res. contributor: fullname: Eloff – volume: 22 start-page: 3464 year: 2020 end-page: 3468 ident: bib0011 article-title: New Synthetic Routes to (+)-Uleine and (−)-Tubifolidine: General Approach to 2-Azabicyclo[3.3.1]nonane Indole Alkaloids publication-title: Org Lett contributor: fullname: Cho – volume: 51 start-page: 294 year: 2019 end-page: 300 ident: bib0005 article-title: A Concise Total Synthesis of Deethylaspidospermidine publication-title: Org. Prep. Proced. Int. contributor: fullname: Uludag – volume: 32 start-page: 1389 year: 2015 end-page: 1471 ident: bib0010 article-title: Simple indole alkaloids and those with a nonrearranged monoterpenoid unit publication-title: Nat. Prod. Rep. contributor: fullname: Hibino – volume: 280 start-page: 37041 year: 2005 end-page: 37047 ident: bib0024 article-title: Nucleotide-dependent Domain Movement in the ATPase Domain of a Human Type IIA DNA Topoisomerase publication-title: J. Biol. Chem. contributor: fullname: Verdine – volume: 1 start-page: 15 year: 2009 ident: bib0025 article-title: Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock publication-title: J. Cheminformatics. contributor: fullname: Hazai – volume: 75 start-page: 2575 year: 2021 end-page: 2583 ident: bib0018 article-title: Biologically active composite based on fumed silica and Anoectochilus formosanus Hayata extract publication-title: Chem. Pap. contributor: fullname: Roy – volume: 105 start-page: 7512 year: 1983 end-page: 7516 ident: bib0044 article-title: Absolute hardness: companion parameter to absolute electronegativity publication-title: J. Am. Chem. Soc. contributor: fullname: Pearson – volume: 1155 start-page: 548 year: 2018 end-page: 560 ident: bib0015 article-title: An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV–Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure publication-title: J. Mol. Struct. contributor: fullname: Serdaroglu – volume: 322 year: 2021 ident: bib0077 article-title: Are nickel- and titanium- doped fullerenes suitable adsorbents for dopamine in an aqueous solution? Detailed DFT and AIM studies publication-title: J. Mol. Liq. contributor: fullname: Ahmadizadeh – volume: 62 start-page: 9 year: 2021 end-page: 18 ident: bib0072 article-title: Quantum Chemical Study of the stability of Copper-Palladium complexes in the gas phase publication-title: J. Struct. Chem. contributor: fullname: Krisyuk – volume: 76 start-page: 4749 year: 1954 end-page: 4751 ident: bib0013 article-title: The total synthesis of strychnine publication-title: J. Am. Chem. Soc. contributor: fullname: Schenker – volume: 313 year: 2020 ident: bib0069 article-title: Experimental and DFT/TD-DFT computational investigations of the solvent effect on the spectral properties of nitro substituted pyridino[3,4-c]coumarins publication-title: J. Mol. Liq. contributor: fullname: Bani-Yaseen – year: 1973 ident: bib0040 article-title: Statistical Thermodynamics contributor: fullname: McQuarrie – volume: 110 start-page: 8928 year: 2006 end-page: 8934 ident: bib0047 article-title: Quantum Chemical Study of the Inhibitive Properties of 2-Pyridyl-Azoles publication-title: J. Phys. Chem. B contributor: fullname: Gazquez – volume: 88 start-page: 899 year: 1988 end-page: 926 ident: bib0051 article-title: Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint publication-title: Chem. Rev. contributor: fullname: Weinhold – volume: 75 start-page: 107 year: 2008 end-page: 118 ident: bib0012 article-title: A concise approach to (±)-tubifoline based on the palladium-catalyzed cross-coupling reaction of indolylborate publication-title: Heterocycles contributor: fullname: Abe – volume: 121 start-page: 1922 year: 1999 end-page: 1924 ident: bib0043 article-title: Electrophilicity Index publication-title: J. Am. Chem. Soc. contributor: fullname: Liu – volume: 55 start-page: 6299 year: 1990 end-page: 6312 ident: bib0002 article-title: A New Synthetic Entry to Pentacyclic Strychnos Alkaloids. Total Synthesis of (±)-Tubifolidine, (±)-Tubifoline, and (±)-19,20-Dihydroakuammicine publication-title: J. Org. Chem. contributor: fullname: Bosch – volume: 60 start-page: 1267 year: 2019 end-page: 1284 ident: bib0061 article-title: Spectroscopic (FT-IR, NMR) and Computational Investigation of 2-(2-Aminoethyl)-1,2,3,4,9-Tetrahydrocarbazole: NBO, NLO, FMO, MEP Analysis publication-title: J. Struct. Chem. contributor: fullname: Uludağ – volume: 815 start-page: 16 year: 2016 end-page: 22 ident: bib0070 article-title: Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn (CO) 3 (bpy) L] PF6 type novel manganese complexes publication-title: J. Organomet. Chem contributor: fullname: Özdemir – volume: 330 year: 2021 ident: bib0079 article-title: Molecular dynamic simulations and quantum chemical calculations of adsorption process using amino-functionalized silica publication-title: J. Mol. Liq. contributor: fullname: Shirazian – volume: 38 start-page: 647 year: 2017 end-page: 660 ident: bib0056 article-title: DFT Based Quantum Chemical Descriptors of 1-Substituted THβC, DHβC, βC Derivatives publication-title: Cumhuriyet Sci. J. contributor: fullname: Elik – volume: 42 start-page: 845 year: 2013 end-page: 856 ident: bib0036 article-title: The calculations of excited-state properties with Time-Dependent Density Functional Theory publication-title: Chem. Soc. Rev. contributor: fullname: Jacquemin – volume: 19 start-page: 1639 year: 1998 end-page: 1662 ident: bib0026 article-title: Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function publication-title: J. Comput. Chem. contributor: fullname: Olson – volume: 1166 start-page: 286 year: 2018 end-page: 303 ident: bib0007 article-title: Concise total synthesis of (±)-aspidospermidine and computational study: FT-IR, NMR, NBO, NLO, FMO, MEP diagrams publication-title: J Mol. Struct. contributor: fullname: Uludag – volume: 330 year: 2021 ident: bib0019 article-title: Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations publication-title: J. Mol. Liq. contributor: fullname: Rajkumar – volume: 111 start-page: 2464 year: 2011 end-page: 2475 ident: bib0053 article-title: A DFT study of determination of the reactive sites of the acetylcholine and its agonists: In the gas phase and dielectric medium publication-title: Int. J. Quantum. Chem. contributor: fullname: Serdaroğlu – volume: 50 start-page: 25 year: 2018 end-page: 37 ident: bib0064 article-title: An entry to the synthesis of uleine-type alkaloids by Fischer indole synthesis reactions: FT-IR, NMR spectroscopy and computational study of the substituted carbazole compound publication-title: Bulg. Chem. Commun., contributor: fullname: Uludağ – volume: 333 year: 2021 ident: bib0074 article-title: Synthesis, characterization, computational study, and screening of novel 1-phenyl-4-(2-phenylacetyl)-thiosemicarbazide derivatives for their antioxidant and antimicrobial activities publication-title: J. Mol. Liq. contributor: fullname: Azmy – volume: 39 start-page: 11 year: 2020 end-page: 16 ident: bib0008 article-title: A New Approach to the Total Synthesıs of (±)-Nordasycarpıdone by Rıng-closure wıth Tetrachloro-1,4-benzoquınone publication-title: Maced. J. Chem Eng. contributor: fullname: Uludag – volume: 1161 start-page: 152 year: 2018 end-page: 168 ident: bib0066 article-title: A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1-(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole publication-title: J. Mol. Struct. contributor: fullname: Yinanc – volume: 17 start-page: 25705 year: 2015 end-page: 25713 ident: bib0030 article-title: Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate publication-title: Phys. Chem. Chem. Phys. contributor: fullname: Compagnon – volume: 124 year: 2006 ident: bib0034 article-title: Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model publication-title: J. Chem. Phys. contributor: fullname: Barone – volume: 80 start-page: 3265 year: 1984 end-page: 3269 ident: bib0029 article-title: Quadratic configuration interaction. A general technique for determining electron correlation energies publication-title: J. Chem. Phys. contributor: fullname: Binkley – volume: 27 start-page: 1630 year: 2010 end-page: 1680 ident: bib0009 article-title: Simple indole alkaloids and those with a nonrearranged monoterpenoid unit publication-title: Nat. Prod. Rep. contributor: fullname: Abe – volume: 108 start-page: 4439 year: 1998 end-page: 4449 ident: bib0033 article-title: Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold publication-title: J. Chem. Phys. contributor: fullname: Salahub – volume: 111 start-page: 1966 year: 2007 end-page: 1970 ident: bib0046 article-title: Electrodonating and electroaccepting powers publication-title: J. Phys. Chem. A contributor: fullname: Vela – volume: 111 year: 2020 ident: bib0016 article-title: The electronic and spectroscopic investigation of (±)-Dasycarpidone publication-title: Vib. Spectrosc. contributor: fullname: Uludag – volume: 4 start-page: 6870 year: 2019 end-page: 6878 ident: bib0060 article-title: A DFT Investigation on the Structure, Spectroscopy (FT-IR and NMR), Donor-Acceptor Interactions and Non-Linear Optic Properties of (±)-1,2-Dehydroaspidospermidine publication-title: Chem.Select contributor: fullname: Serdaroğlu – volume: 83 start-page: 8440 year: 1986 end-page: 8441 ident: bib0045 article-title: Absolute electronegativity and hardness correlated with molecular orbital theory publication-title: Proc. Natl. Acad. Sci. USA contributor: fullname: Pearson – volume: 38 start-page: 138 year: 2017 end-page: 155 ident: bib0071 article-title: A Computational Study of 1-Substituted Methyl 9-Methyl-9H-Pyrido[3,4- b]indole-3-Carboxylate: Quantum Chemical Descriptors, FMO and NBO Analysis publication-title: Cumhuriyet Sci. J. contributor: fullname: Serdaroğlu – volume: 327 year: 2021 ident: bib0076 article-title: Cyclohexylamine an effective corrosion inhibitor for mild steel in 0.1 N H2SO4: Experimental and theoretical (molecular dynamics simulation and FMO) study publication-title: J. Mol. Liq. contributor: fullname: Dhanda – volume: 83 start-page: 1736 year: 1985 end-page: 1740 ident: bib0050 article-title: Natural localized molecular orbitals publication-title: J. Chem. Phys. contributor: fullname: Weinhold – volume: 52 start-page: 434 year: 2020 end-page: 441 ident: bib0006 article-title: A New Approach to the Total Synthesis of 20-Deethyltubifolidine and an Entry to the Azocino[4,3-b]indoles publication-title: Org. Prep. Proced. Int. contributor: fullname: Duran – volume: 108 start-page: 1002 year: 2008 end-page: 1007 ident: bib0021 article-title: Effect of antioxidant oxidation potential in the oxygen radical absorption capacity (ORAC) assay publication-title: Food Chem. contributor: fullname: Navaratnam – year: 1962 ident: bib0041 article-title: An Introduction to Statistical Thermodynamics contributor: fullname: Hill – volume: 113 start-page: 6378 year: 2009 end-page: 6396 ident: bib0052 article-title: Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions publication-title: J. Phys. Chem. B contributor: fullname: Truhlar – volume: 27 start-page: 113 year: 2021 ident: bib0068 article-title: Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations publication-title: J. Mol. Model. contributor: fullname: Serdaroglu – volume: 333 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0074 article-title: Synthesis, characterization, computational study, and screening of novel 1-phenyl-4-(2-phenylacetyl)-thiosemicarbazide derivatives for their antioxidant and antimicrobial activities publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2021.115977 contributor: fullname: Altalhi – volume: 50 start-page: 25 year: 2018 ident: 10.1016/j.molstruc.2021.130978_bib0064 article-title: An entry to the synthesis of uleine-type alkaloids by Fischer indole synthesis reactions: FT-IR, NMR spectroscopy and computational study of the substituted carbazole compound publication-title: Bulg. Chem. Commun., contributor: fullname: Serdaroglu – volume: 181 start-page: 322 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0073 article-title: The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations publication-title: Int. J. Biol. Macromol. doi: 10.1016/j.ijbiomac.2021.03.128 contributor: fullname: Baybaş – volume: 121 start-page: 1922 year: 1999 ident: 10.1016/j.molstruc.2021.130978_bib0043 article-title: Electrophilicity Index publication-title: J. Am. Chem. Soc. doi: 10.1021/ja983494x contributor: fullname: Parr – volume: 111 start-page: 1966 issue: 10 year: 2007 ident: 10.1016/j.molstruc.2021.130978_bib0046 article-title: Electrodonating and electroaccepting powers publication-title: J. Phys. Chem. A doi: 10.1021/jp065459f contributor: fullname: Gazquez – volume: 280 start-page: 37041 year: 2005 ident: 10.1016/j.molstruc.2021.130978_bib0024 article-title: Nucleotide-dependent Domain Movement in the ATPase Domain of a Human Type IIA DNA Topoisomerase publication-title: J. Biol. Chem. doi: 10.1074/jbc.M506520200 contributor: fullname: Wei – volume: 75 start-page: 107 year: 2008 ident: 10.1016/j.molstruc.2021.130978_bib0012 article-title: A concise approach to (±)-tubifoline based on the palladium-catalyzed cross-coupling reaction of indolylborate publication-title: Heterocycles doi: 10.3987/COM-07-11190 contributor: fullname: Ishikura – volume: 1238 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0078 article-title: Bulk crystal growth, spectroscopic, hirshfeld surface analysis, physicochemical and quantum chemical investigations on 2-ethylimidazolium d -tartrate single crystal publication-title: J. Mol. Struct. doi: 10.1016/j.molstruc.2021.130448 contributor: fullname: Chinnasami – volume: 1155 start-page: 548 year: 2018 ident: 10.1016/j.molstruc.2021.130978_bib0015 article-title: An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV–Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure publication-title: J. Mol. Struct. doi: 10.1016/j.molstruc.2017.11.032 contributor: fullname: Uludag – volume: 8 start-page: 935 year: 1997 ident: 10.1016/j.molstruc.2021.130978_bib0004 article-title: Total syntheses of the Strychnos indole alkaloids(−)-tubifoline, (−)-tubifolidine, and (−)-19,20-dihydroakuammicine publication-title: Tetrahedron Asymmetry doi: 10.1016/S0957-4166(97)00071-2 contributor: fullname: Amat – volume: 1 start-page: 104 year: 1934 ident: 10.1016/j.molstruc.2021.130978_bib0042 article-title: Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms publication-title: Physica doi: 10.1016/S0031-8914(34)90011-2 contributor: fullname: Koopmans – volume: 1221 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0062 article-title: Synthesis, crystal structure, hirshfeld surface analysis, spectroscopic, biological and first-principles studies of novel aminocoumarins publication-title: J. Mol. Struct. doi: 10.1016/j.molstruc.2020.128862 contributor: fullname: Bejaoui – volume: 57 start-page: 491 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0017 article-title: An Effective Approach to the Strychnos Alkaloids: Total Synthesis of Tubifolidine publication-title: Chem. Nat. Compd. doi: 10.1007/s10600-021-03394-y contributor: fullname: Uludag – volume: 83 start-page: 1736 year: 1985 ident: 10.1016/j.molstruc.2021.130978_bib0050 article-title: Natural localized molecular orbitals publication-title: J. Chem. Phys. doi: 10.1063/1.449360 contributor: fullname: Reed – volume: 46 start-page: 5034 year: 2011 ident: 10.1016/j.molstruc.2021.130978_bib0020 article-title: Synthesis and antioxidant activity of oxazolyl/thiazolylsulfonylmethyl pyrazoles and isoxazoles publication-title: Eur. J. Med. Chem. doi: 10.1016/j.ejmech.2011.08.010 contributor: fullname: Padmaja – volume: 1166 start-page: 286 year: 2018 ident: 10.1016/j.molstruc.2021.130978_bib0007 article-title: Concise total synthesis of (±)-aspidospermidine and computational study: FT-IR, NMR, NBO, NLO, FMO, MEP diagrams publication-title: J Mol. Struct. doi: 10.1016/j.molstruc.2018.04.050 contributor: fullname: Serdaroglu – volume: 4 start-page: 6870 year: 2019 ident: 10.1016/j.molstruc.2021.130978_bib0060 article-title: A DFT Investigation on the Structure, Spectroscopy (FT-IR and NMR), Donor-Acceptor Interactions and Non-Linear Optic Properties of (±)-1,2-Dehydroaspidospermidine publication-title: Chem.Select contributor: fullname: Uludağ – volume: 55 start-page: 6299 year: 1990 ident: 10.1016/j.molstruc.2021.130978_bib0002 article-title: A New Synthetic Entry to Pentacyclic Strychnos Alkaloids. Total Synthesis of (±)-Tubifolidine, (±)-Tubifoline, and (±)-19,20-Dihydroakuammicine publication-title: J. Org. Chem. doi: 10.1021/jo00313a017 contributor: fullname: Amat – volume: 110 start-page: 8928 issue: 18 year: 2006 ident: 10.1016/j.molstruc.2021.130978_bib0047 article-title: Quantum Chemical Study of the Inhibitive Properties of 2-Pyridyl-Azoles publication-title: J. Phys. Chem. B doi: 10.1021/jp057143y contributor: fullname: Gomez – volume: 88 start-page: 899 year: 1988 ident: 10.1016/j.molstruc.2021.130978_bib0051 article-title: Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint publication-title: Chem. Rev. doi: 10.1021/cr00088a005 contributor: fullname: Reed – volume: 32 start-page: 1389 year: 2015 ident: 10.1016/j.molstruc.2021.130978_bib0010 article-title: Simple indole alkaloids and those with a nonrearranged monoterpenoid unit publication-title: Nat. Prod. Rep. doi: 10.1039/C5NP00032G contributor: fullname: Ishikura – volume: 98 start-page: 1372 year: 1993 ident: 10.1016/j.molstruc.2021.130978_bib0027 article-title: A new mixing of Hartree–Fock and local density‐functional theories publication-title: J. Chem. Phys. doi: 10.1063/1.464304 contributor: fullname: Becke – volume: 308 start-page: 249 year: 1999 ident: 10.1016/j.molstruc.2021.130978_bib0035 article-title: Geometric derivatives of excitation energies using SCF and DFT publication-title: Chem. Phys. Lett. doi: 10.1016/S0009-2614(99)00646-6 contributor: fullname: Van Caillie – year: 2013 ident: 10.1016/j.molstruc.2021.130978_bib0038 contributor: fullname: Frisch – volume: 28 start-page: 957 year: 2017 ident: 10.1016/j.molstruc.2021.130978_bib0055 article-title: Ab Initio Calculations on some Antiepileptic Drugs such as Phenytoin, Phenbarbital, Ethosuximide and Carbamazepine publication-title: Struct. Chem. doi: 10.1007/s11224-016-0898-3 contributor: fullname: Serdaroğlu – volume: 46 start-page: 961 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0059 article-title: Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties publication-title: Res. Chem. Intermediat. doi: 10.1007/s11164-019-04020-x contributor: fullname: Serdaroğlu – volume: 51 start-page: 294 year: 2019 ident: 10.1016/j.molstruc.2021.130978_bib0005 article-title: A Concise Total Synthesis of Deethylaspidospermidine publication-title: Org. Prep. Proced. Int. doi: 10.1080/00304948.2019.1600129 contributor: fullname: Uludag – volume: 39 start-page: 11 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0008 article-title: A New Approach to the Total Synthesıs of (±)-Nordasycarpıdone by Rıng-closure wıth Tetrachloro-1,4-benzoquınone publication-title: Maced. J. Chem Eng. doi: 10.20450/mjcce.2020.1736 contributor: fullname: Uludag – volume: 19 start-page: 779 year: 2005 ident: 10.1016/j.molstruc.2021.130978_bib0022 article-title: Antibacterial and antioxidant activity of Sutherlandia frutescens (Fabaceae), a reputed Anti-HIV/AIDS phytomedicine publication-title: Phytother Res. doi: 10.1002/ptr.1719 contributor: fullname: Katerere – volume: 37 start-page: 785 year: 1988 ident: 10.1016/j.molstruc.2021.130978_bib0028 article-title: Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.37.785 contributor: fullname: Lee – volume: 112 start-page: 8251 issue: 23 year: 1990 ident: 10.1016/j.molstruc.2021.130978_bib0032 article-title: Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations publication-title: J. Am. Chem. Soc. doi: 10.1021/ja00179a005 contributor: fullname: Wolinski – volume: 27 start-page: 113 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0068 article-title: Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations publication-title: J. Mol. Model. doi: 10.1007/s00894-021-04742-z contributor: fullname: Al-Otaibi – volume: 63 start-page: 7547 year: 1998 ident: 10.1016/j.molstruc.2021.130978_bib0001 article-title: A Catalytic Asymmetric Synthesis of Tubifolidine publication-title: J. Org Chem. doi: 10.1021/jo981069g contributor: fullname: Shimiziu – volume: 42 start-page: 845 year: 2013 ident: 10.1016/j.molstruc.2021.130978_bib0036 article-title: The calculations of excited-state properties with Time-Dependent Density Functional Theory publication-title: Chem. Soc. Rev. doi: 10.1039/C2CS35394F contributor: fullname: Adamo – volume: 327 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0076 article-title: Cyclohexylamine an effective corrosion inhibitor for mild steel in 0.1 N H2SO4: Experimental and theoretical (molecular dynamics simulation and FMO) study publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2020.114847 contributor: fullname: Kumar – volume: 330 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0079 article-title: Molecular dynamic simulations and quantum chemical calculations of adsorption process using amino-functionalized silica publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2021.115544 contributor: fullname: Cao – volume: 27 start-page: 1630 year: 2010 ident: 10.1016/j.molstruc.2021.130978_bib0009 article-title: Simple indole alkaloids and those with a nonrearranged monoterpenoid unit publication-title: Nat. Prod. Rep. doi: 10.1039/c005345g contributor: fullname: Ishikura – volume: 815 start-page: 16 year: 2016 ident: 10.1016/j.molstruc.2021.130978_bib0070 article-title: Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn (CO) 3 (bpy) L] PF6 type novel manganese complexes publication-title: J. Organomet. Chem doi: 10.1016/j.jorganchem.2016.05.001 contributor: fullname: Üstün – volume: 38 start-page: 138 issue: 4 year: 2017 ident: 10.1016/j.molstruc.2021.130978_bib0071 article-title: A Computational Study of 1-Substituted Methyl 9-Methyl-9H-Pyrido[3,4- b]indole-3-Carboxylate: Quantum Chemical Descriptors, FMO and NBO Analysis publication-title: Cumhuriyet Sci. J. doi: 10.17776/csj.356185 contributor: fullname: Elik – volume: 102 start-page: 7211 year: 1980 ident: 10.1016/j.molstruc.2021.130978_bib0048 article-title: Natural hybrid orbitals publication-title: J. Am. Chem. Soc. doi: 10.1021/ja00544a007 contributor: fullname: Foster – year: 1962 ident: 10.1016/j.molstruc.2021.130978_bib0041 contributor: fullname: Hill – volume: 43 start-page: 531 issue: 11–12 year: 2019 ident: 10.1016/j.molstruc.2021.130978_bib0063 article-title: The synthesis and spectroscopic characterization of (+)-demethoxyaspidospermine: Density functional theory calculations of the structural, electronic, and non-linear optic and spectroscopic properties publication-title: J. Chem. Res. doi: 10.1177/1747519819875859 contributor: fullname: Serdaroglu – volume: 313 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0069 article-title: Experimental and DFT/TD-DFT computational investigations of the solvent effect on the spectral properties of nitro substituted pyridino[3,4-c]coumarins publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2020.113509 contributor: fullname: Shkoor – volume: 111 start-page: 2464 year: 2011 ident: 10.1016/j.molstruc.2021.130978_bib0053 article-title: A DFT study of determination of the reactive sites of the acetylcholine and its agonists: In the gas phase and dielectric medium publication-title: Int. J. Quantum. Chem. doi: 10.1002/qua.22512 contributor: fullname: Serdaroğlu – volume: 330 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0019 article-title: Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2021.115651 contributor: fullname: Serdaroglu – year: 2004-2010 ident: 10.1016/j.molstruc.2021.130978_bib0031 contributor: fullname: Jamroz – volume: 113 start-page: 6378 year: 2009 ident: 10.1016/j.molstruc.2021.130978_bib0052 article-title: Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions publication-title: J. Phys. Chem. B doi: 10.1021/jp810292n contributor: fullname: Marenich – volume: 83 start-page: 735 year: 1985 ident: 10.1016/j.molstruc.2021.130978_bib0049 article-title: Natural population analysis publication-title: J. Chem. Phys. doi: 10.1063/1.449486 contributor: fullname: Reed – volume: 108 start-page: 1002 year: 2008 ident: 10.1016/j.molstruc.2021.130978_bib0021 article-title: Effect of antioxidant oxidation potential in the oxygen radical absorption capacity (ORAC) assay publication-title: Food Chem. doi: 10.1016/j.foodchem.2007.12.012 contributor: fullname: Bisby – volume: 111 start-page: 3938 year: 2011 ident: 10.1016/j.molstruc.2021.130978_bib0054 article-title: DFT and Ab initio computational study on the reactivity sites of the GABA and its agonists, such as CACA, TACA, DABA, and muscimol: In the gas phase and dielectric media publication-title: Int. J. Quantum. Chem. doi: 10.1002/qua.22809 contributor: fullname: Serdaroğlu – volume: 108 start-page: 4439 year: 1998 ident: 10.1016/j.molstruc.2021.130978_bib0033 article-title: Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold publication-title: J. Chem. Phys. doi: 10.1063/1.475855 contributor: fullname: Casida – volume: 76 start-page: 4749 year: 1954 ident: 10.1016/j.molstruc.2021.130978_bib0013 article-title: The total synthesis of strychnine publication-title: J. Am. Chem. Soc. doi: 10.1021/ja01647a088 contributor: fullname: Woodward – volume: 46 start-page: 1 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0065 article-title: Theory and computation of nuclear shielding publication-title: Nucl. Magn. Resonan. contributor: fullname: Kupka – volume: 22 start-page: 3464 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0011 article-title: New Synthetic Routes to (+)-Uleine and (−)-Tubifolidine: General Approach to 2-Azabicyclo[3.3.1]nonane Indole Alkaloids publication-title: Org Lett doi: 10.1021/acs.orglett.0c00912 contributor: fullname: Kim – volume: 96 start-page: 1221 year: 2019 ident: 10.1016/j.molstruc.2021.130978_bib0014 article-title: An efficient method for the azocino[4,3-b]indole framework of strychnos alkaloids: DFT investigations on the electronic and spectroscopic properties publication-title: J. Indian. Chem.Soc. contributor: fullname: Uludag – volume: 23 start-page: 3058 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0067 article-title: Five-Step Total Synthesis of (±)-Aspidospermidine by a Lactam Strategy via an Azomethine Ylide publication-title: Org. Lett. doi: 10.1021/acs.orglett.1c00735 contributor: fullname: Katahara – volume: 49 start-page: 861 year: 2010 ident: 10.1016/j.molstruc.2021.130978_bib0057 article-title: DFT and statistical mechanics entropy calculations of diatomic and polyatomic molecules publication-title: Indian J. Chem. contributor: fullname: Serdaroglu – volume: 1161 start-page: 152 year: 2018 ident: 10.1016/j.molstruc.2021.130978_bib0066 article-title: A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1-(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole publication-title: J. Mol. Struct. doi: 10.1016/j.molstruc.2018.02.046 contributor: fullname: Uludağ – volume: 38 start-page: 647 issue: 4 year: 2017 ident: 10.1016/j.molstruc.2021.130978_bib0056 article-title: DFT Based Quantum Chemical Descriptors of 1-Substituted THβC, DHβC, βC Derivatives publication-title: Cumhuriyet Sci. J. doi: 10.17776/csj.349241 contributor: fullname: Serdaroğlu – volume: 1228 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0075 article-title: An investigation into three-dimensional octahedral multi-nuclear Ni(II)-based complexes supported by a more flexible salamo-type ligand publication-title: J. Mol. Struct. doi: 10.1016/j.molstruc.2020.129796 contributor: fullname: Li – volume: 83 start-page: 8440 year: 1986 ident: 10.1016/j.molstruc.2021.130978_bib0045 article-title: Absolute electronegativity and hardness correlated with molecular orbital theory publication-title: Proc. Natl. Acad. Sci. USA doi: 10.1073/pnas.83.22.8440 contributor: fullname: Pearson – volume: 60 start-page: 1267 issue: 8 year: 2019 ident: 10.1016/j.molstruc.2021.130978_bib0061 article-title: Spectroscopic (FT-IR, NMR) and Computational Investigation of 2-(2-Aminoethyl)-1,2,3,4,9-Tetrahydrocarbazole: NBO, NLO, FMO, MEP Analysis publication-title: J. Struct. Chem. doi: 10.1134/S0022476619080079 contributor: fullname: Serdaroğlu – volume: 124 year: 2006 ident: 10.1016/j.molstruc.2021.130978_bib0034 article-title: Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model publication-title: J. Chem. Phys. doi: 10.1063/1.2173258 contributor: fullname: Scalmani – volume: 322 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0077 article-title: Are nickel- and titanium- doped fullerenes suitable adsorbents for dopamine in an aqueous solution? Detailed DFT and AIM studies publication-title: J. Mol. Liq. doi: 10.1016/j.molliq.2020.114942 contributor: fullname: Rad – volume: 11 start-page: 4664 year: 2009 ident: 10.1016/j.molstruc.2021.130978_bib0037 article-title: The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TD-DFT study publication-title: Phys. Chem. Chem. Phys. doi: 10.1039/b902521a contributor: fullname: Importa – volume: 52 start-page: 434 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0006 article-title: A New Approach to the Total Synthesis of 20-Deethyltubifolidine and an Entry to the Azocino[4,3-b]indoles publication-title: Org. Prep. Proced. Int. doi: 10.1080/00304948.2020.1780886 contributor: fullname: Uludag – volume: 75 start-page: 2575 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0018 article-title: Biologically active composite based on fumed silica and Anoectochilus formosanus Hayata extract publication-title: Chem. Pap. doi: 10.1007/s11696-021-01513-1 contributor: fullname: Ivannnikov – volume: 1 start-page: 15 year: 2009 ident: 10.1016/j.molstruc.2021.130978_bib0025 article-title: Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock publication-title: J. Cheminformatics. doi: 10.1186/1758-2946-1-15 contributor: fullname: Bikadi – volume: 105 start-page: 7512 year: 1983 ident: 10.1016/j.molstruc.2021.130978_bib0044 article-title: Absolute hardness: companion parameter to absolute electronegativity publication-title: J. Am. Chem. Soc. doi: 10.1021/ja00364a005 contributor: fullname: Parr – volume: 6 start-page: e04105 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0058 article-title: New route for synthesis of 2-(2,2-dimethoxyethyl)-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[4,3-b]indole and DFT investigation publication-title: Heliyon doi: 10.1016/j.heliyon.2020.e04105 contributor: fullname: Uludağ – volume: 111 year: 2020 ident: 10.1016/j.molstruc.2021.130978_bib0016 article-title: The electronic and spectroscopic investigation of (±)-Dasycarpidone publication-title: Vib. Spectrosc. doi: 10.1016/j.vibspec.2020.103156 contributor: fullname: Serdaroglu – year: 1973 ident: 10.1016/j.molstruc.2021.130978_bib0040 contributor: fullname: McQuarrie – volume: 19 start-page: 1894 year: 2017 ident: 10.1016/j.molstruc.2021.130978_bib0003 article-title: Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids publication-title: Org. Lett. doi: 10.1021/acs.orglett.7b00669 contributor: fullname: Gammack Yamagata – volume: 79 start-page: 76 year: 2012 ident: 10.1016/j.molstruc.2021.130978_bib0023 article-title: Synthesis and Comparison of Antioxidant Properties of Indole-Based Melatonin Analogue Indole Amino Acid Derivatives publication-title: Chem. Bio. Drug. Des. doi: 10.1111/j.1747-0285.2011.01216.x contributor: fullname: Suzen – year: 2016 ident: 10.1016/j.molstruc.2021.130978_bib0039 – volume: 80 start-page: 3265 year: 1984 ident: 10.1016/j.molstruc.2021.130978_bib0029 article-title: Quadratic configuration interaction. A general technique for determining electron correlation energies publication-title: J. Chem. Phys. doi: 10.1063/1.447079 contributor: fullname: Frisch – volume: 19 start-page: 1639 issue: 14 year: 1998 ident: 10.1016/j.molstruc.2021.130978_bib0026 article-title: Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function publication-title: J. Comput. Chem. doi: 10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B contributor: fullname: Morris – volume: 17 start-page: 25705 year: 2015 ident: 10.1016/j.molstruc.2021.130978_bib0030 article-title: Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate publication-title: Phys. Chem. Chem. Phys. doi: 10.1039/C5CP02079D contributor: fullname: Barnes – volume: 62 start-page: 9 issue: 1 year: 2021 ident: 10.1016/j.molstruc.2021.130978_bib0072 article-title: Quantum Chemical Study of the stability of Copper-Palladium complexes in the gas phase publication-title: J. Struct. Chem. doi: 10.1134/S0022476621010029 contributor: fullname: Mirzaeva |
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| SubjectTerms | (-)-Tubifolidine Antioxidant activity DFT and TD-DFT calculations Molecular docking |
| Title | (-)-Tubifolidine as strychnos indole alkaloid: Spectroscopic charactarization (FT-IR, NMR, UV-Vis), antioxidant activity, molecular docking, and DFT studies |
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