Synthesis, Spectral Characterization, Electronic Structure and Biological Activity Screening of the Schiff Base 4-((4-Hydroxy-3-Methoxy-5-Nitrobenzylidene)Amino)-N-(Pyrimidin-2-yl)Benzene Sulfonamide from 5-Nitrovaniline and Sulphadiazene
Elangovan, N., Thomas, Renjith, Sowrirajan, S., Manoj, K. P., Irfan, Ahmad
Published in Polycyclic aromatic compounds (26.11.2022)
Published in Polycyclic aromatic compounds (26.11.2022)
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(E)-4-((4-Bromobenzylidene) Amino)-N-(Pyrimidin-2-yl) Benzenesulfonamide from 4-Bromobenzaldehyde and Sulfadiazine, Synthesis, Spectral (FTIR, UV-Vis), Computational (DFT, HOMO-LUMO, MEP, NBO, NPA, ELF, LOL, RDG) and Molecular Docking Studies
Sowrirajan, S., Elangovan, N., Ajithkumar, G., Manoj, K. P.
Published in Polycyclic aromatic compounds (26.11.2022)
Published in Polycyclic aromatic compounds (26.11.2022)
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Synthesis, computational, molecular docking studies and photophysical properties of (Z)-N-(pyrimidin-2-yl)-4-(thiophen-2-ylmethylene)amino) benzenesulfonamide
Thilagavathi, G., Jayachitra, R., Kanagavalli, A., N, Elangovan, Sirajunnisa, A., S, Sowrirajan, Thomas, Renjith
Published in Journal of the Indian Chemical Society (01.01.2023)
Published in Journal of the Indian Chemical Society (01.01.2023)
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Fluorescent Azomethine by the Condensation of Sulfadiazine and 4-Chlorobenzaldehyde in Solution: Synthesis, Characterization, Solvent Interactions, Electronic Structure, and Biological Activity Prediction
Elangovan, N., Sowrirajan, S., Alzahrani, Abdullah Yahya Abdullah, Rajendran Nair, Deepthi S., Thomas, Renjith
Published in Polycyclic aromatic compounds (20.04.2024)
Published in Polycyclic aromatic compounds (20.04.2024)
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Influence of the solvents through molecular structure, wavefunction studies, biological activity prediction and molecular docking studies of 4,4-((1,2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) bis(2-methoxyphenol)
Elangovan, N., Sankar Ganesan, T., Vignesh, R., Alomar, Suliman Yousef, S., Sowrirajan, Chandrasekar, S., Kalanthoden, Abdul Nasar, Nawaz, Asad
Published in Journal of molecular liquids (01.12.2023)
Published in Journal of molecular liquids (01.12.2023)
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Computational investigation of solvent interaction (TD-DFT, MEP, HOMO-LUMO), wavefunction studies and molecular docking studies of 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile
Kanchana, S., Kaviya, T., Rajkumar, P., Kumar, M.Dhinesh, Elangovan, N., Sowrirajan, S.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Comparison study (experimental and theoretical), hydrogen bond interaction through water, donor acceptor investigation and molecular docking study of 3,3-((1,2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) diphenol
Elangovan, N, Thirumavalavan, Munusamy, Sankar Ganesan, T, Sowrirajan, S, Chandrasekar, S, Arumugam, Natarajan
Published in Journal of biomolecular structure & dynamics (24.04.2024)
Published in Journal of biomolecular structure & dynamics (24.04.2024)
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Synthesis, Electronic Structure, UV-Vis, Wave Function, and Molecular Docking Studies of Schiff Base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene)Amino)Benzenesulfonamide
Kanagavalli, A., Thilagavathi, G., Jayachitra, R., Elangovan, N., Sowrirajan, S., Shadakshara Murthy, K. R., Thomas, Renjith
Published in Polycyclic aromatic compounds (26.11.2023)
Published in Polycyclic aromatic compounds (26.11.2023)
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Theoretical Investigation on Solvents Effect in Molecular Structure (TD-DFT, MEP, HOMO-LUMO), Topological Analysis and Molecular Docking Studies of N-(5-((4-Ethylpiperazin-1-yl)Methyl)Pyridin-2-yl)-5-Fluoro-4-(4-Fluoro-1-Isopropyl-2-Methyl-1H-Benzo[d] Imidazol-6-yl) Pyrimidin-2-Amine
Elangovan, N., Sowrirajan, S., Arumugam, Natarajan, Rajeswari, B., Mathew, Shanty, Priya, C. Geetha, Venkatraman, B. R., Mahalingam, Sakkarapalayam M.
Published in Polycyclic aromatic compounds (08.08.2024)
Published in Polycyclic aromatic compounds (08.08.2024)
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Antimicrobial activity prediction, inter- and intramolecular charge transfer investigation, reactivity analysis and molecular docking studies of adenine derivatives
Geetha Priya, C., Venkatraman, B. R., Arockiaraj, I., Sowrirajan, S., Elangovan, N., Islam, Mohammad Shahidul, Mahalingam, Sakkarapalayam M.
Published in Journal of biomolecular structure & dynamics (18.11.2023)
Published in Journal of biomolecular structure & dynamics (18.11.2023)
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Detailed Structural Examination, Quantum Mechanical Studies of the Aromatic Compound Solarimfetol and Formation of Inclusion Compound with Cucurbituril
Pooventhiran, T., Cheriet, Mouna, Bhattacharyya, Utsab, Irfan, Ahmad, Puchta, Ralph, Sowrirajan, S., Thomas, Renjith
Published in Polycyclic aromatic compounds (14.09.2022)
Published in Polycyclic aromatic compounds (14.09.2022)
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Solid-state Synthesis, electronic Structure Studies, Solvent Interaction through Hydrogen Bonding, and Molecular Docking Studies of 2,2'-((1,2-Phenylenebis(Azaneylylidene))Bis (Methaneylylidene))Diphenol from o-Phenylenediamine and Salicylaldehyde
Elangovan, N., Ganesan, T. Sankar, Rajeswari, B., Kanagavalli, A., Kokilavani, S., Sowrirajan, S., Chandrasekar, S., Thomas, Renjith
Published in Polycyclic aromatic compounds (15.03.2024)
Published in Polycyclic aromatic compounds (15.03.2024)
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Synthesis, Quantum Mechanical Studies, Physicochemical Properties and Molecular Docking Studies of Schiff Base N-N-(1,2-Phenylene)Bis(1-(4-Bromophenyl)Methanimine) from o- Phenylenediamine and 4-Bromobenzaldehyde
Ganesan, T. Sankar, Elangovan, N., Sirajunnisa, A., Angel, T., Sowrirajan, S., Chandrasekar, S., S. Rajendran Nair, Deepthi, Thomas, Renjith
Published in Polycyclic aromatic compounds (15.03.2024)
Published in Polycyclic aromatic compounds (15.03.2024)
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Journal Article
Synthesis, topology, molecular docking and dynamics studies of o -phenylenediamine derivative
Sankar Ganesan, T, Elangovan, N, Thirumavalavan, Munusamy, Seenan, Shanthi, Sowrirajan, S, Chandrasekar, S, Arumugam, Natarajan, Almansour, Abdulrahman I, Mahalingam, Sakkarapalayam M, V M, Datta Darshan, Kanchi, Subbarao, Sivaramakrishnan, Venketesh
Published in Journal of biomolecular structure & dynamics (05.04.2024)
Published in Journal of biomolecular structure & dynamics (05.04.2024)
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Crystal structure, Hirshfeld surface analysis, and computational study of tin (IV) complex: Insights from spectroscopic, anticancer and cytotoxic properties
Bhaskar, C., Elangovan, N., Sowrirajan, S., Chandrasekar, S., Alomar, Suliman Yousef, Nawaz, Asad
Published in Results in Chemistry (01.12.2023)
Published in Results in Chemistry (01.12.2023)
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Fluorescence property and solvent effect on m-bromosalicylaldehyde derivative; insights from synthesis, characterization, antimicrobial activity and computational studies
Priya, C. Geetha, Venkatraman, B.R., Sowrirajan, S., Elangovan, N., Arumugam, Natarajan, Almansour, Abdulrahman I., Mahalingam, Sakkarapalayam M.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Theoretical investigation, solvation effect, topology, NCI and molecular docking studies on potential Pemigatinib
Kaviya, T., Rajkumar, P., Elangovan, N., Arulmozhi, T., Sowrirajan, S., Arumugam, Natarajan, Almansour, Abdulrahman I., Mahalingam, Sakkarapalayam M.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Solid state synthesis of a fluorescent Schiff base (E)-1-(perfluorophenyl)-N-(o-toly)methanimine followed by computational, quantum mechanical and molecular docking studies
Geethapriya, J., Rexalin Devaraj, Anitha, Gayathri, K., Swadhi, R., Elangovan, N., S.Manivel, Sowrirajan, S., Thomas, Renjith
Published in Results in Chemistry (01.01.2023)
Published in Results in Chemistry (01.01.2023)
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Absorption studies on serotonin neurotransmitter with the platinum metal cluster using the gas phase and different solvents, topological and non-covalent interaction: A DFT approach
Priya, C.Geetha, Venkatraman, B.R., Elangovan, N., Kumar, M.Dhinesh, Arulmozhi, T., Sowrirajan, S., Islam, Mohammad Shahidul, Bhagavathsingh, Jebasingh
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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