Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti-cancer evaluation
Al-Ostoot, Fares Hezam, Akhileshwari, P., Kameshwar, Vivek Hamse, Geetha, D.V., Aljohani, Majed S., Alharbi, Hussam Y., Khanum, Shaukath Ara, Sridhar, M.A.
Published in Heliyon (15.07.2024)
Published in Heliyon (15.07.2024)
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Optical and structural properties of chalcone NLO single crystals
Rajesh Kumar, P.C., Ravindrachary, V., Janardhana, K., Manjunath, H.R., Karegouda, Prakash, Crasta, Vincent, Sridhar, M.A.
Published in Journal of molecular structure (16.11.2011)
Published in Journal of molecular structure (16.11.2011)
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Synthesis of new bioactive venlafaxine analogs: Novel thiazolidin-4-ones as antimicrobials
Kavitha, C.V., Basappa, Swamy, S. Nanjunda, Mantelingu, K., Doreswamy, S., Sridhar, M.A., Shashidhara Prasad, J., Rangappa, Kanchugarakoppal S.
Published in Bioorganic & medicinal chemistry (01.04.2006)
Published in Bioorganic & medicinal chemistry (01.04.2006)
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Synthesis, structural characterization, and DFT studies of anti-cancer drug N-(2-Aminophenyl)-2-(4-bromophenoxy)acetamide
Chandana, S.N., Al-Ostoot, Fares Hezam, Eissa Mohammed, Yasser Hussein, Al-Ramadneh, Tareq N., Akhileshwari, P., Khanum, Shaukath Ara, Sridhar, M.A., Lakshminarayana, B.N.
Published in Heliyon (01.03.2021)
Published in Heliyon (01.03.2021)
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Synthesis, characterizations of new Schiff base heterocyclic derivatives and their optoelectronic, computational studies with level II & III features of LFPs
Upendranath, K., Venkatesh, Talavara, Lohith, T.N., Sridhar, M.A.
Published in Journal of molecular structure (15.09.2022)
Published in Journal of molecular structure (15.09.2022)
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Rationalizing the stability and noncovalent interactions of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(methylthio)thiazole-4-carboxamide: Insights from X‐ray structure and QTAIM analysis
T․N․, Lohith, K․, Ravi Singh, C․, Santhosh, M․A․, Sridhar, M․P․, Sadashiva
Published in Journal of molecular structure (05.01.2025)
Published in Journal of molecular structure (05.01.2025)
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Synthesis, structure analysis, DFT calculations, Hirshfeld surface studies, and energy frameworks of 6-Chloro-3-[(4-chloro-3-methylphenoxy)methyl][1,2,4]triazolo[4,3-b]pyridazine
Sallam, Hamdi Hamid, Mohammed, Yasser Hussien Eissa, Al-Ostoot, Fares Hezam, Sridhar, M.A., Khanum, Shaukath Ara
Published in Journal of molecular structure (05.08.2021)
Published in Journal of molecular structure (05.08.2021)
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Preparation and characterisation of Isophthalic-Bi2O3 polymer composite gamma radiation shields
Ambika, M.R., Nagaiah, N., Harish, V., Lokanath, N.K., Sridhar, M.A., Renukappa, N.M., Suman, S.K.
Published in Radiation physics and chemistry (Oxford, England : 1993) (01.01.2017)
Published in Radiation physics and chemistry (Oxford, England : 1993) (01.01.2017)
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Design-based synthesis, molecular docking analysis of an anti-inflammatory drug, and geometrical optimization and interaction energy studies of an indole acetamide derivative
Al-Ostoot, Fares Hezam, Geetha, D.V., Mohammed, Yasser Hussein Eissa, Akhileshwari, P., Sridhar, M.A., Khanum, Shaukath Ara
Published in Journal of molecular structure (15.02.2020)
Published in Journal of molecular structure (15.02.2020)
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Crystal structure elucidation and DFT studies of imidazopyridine-pyrazoline derivative
Akhileshwari, P., Sharanya, K., Hamid Sallam, Hamdi, Sridhar, M.A., Lokanath, N.K.
Published in Journal of molecular structure (05.03.2022)
Published in Journal of molecular structure (05.03.2022)
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Design, synthesis, molecular docking and DFT computational insight on the structure of Piperazine sulfynol derivatives as a new antibacterial contender against superbugs MRSA
Prasad, H. S. Nagendra, Ananda, A.P., Lohith, T.N., Prabhuprasad, P., Jayanth, H.S., Krishnamurthy, N.B., Sridhar, M.A., Mallesha, L., Mallu, P.
Published in Journal of molecular structure (05.01.2022)
Published in Journal of molecular structure (05.01.2022)
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Synthesis, crystal structure characterization, Hirshfeld surface analysis, and Quantum chemical computations of Ethyl 5-(thiophene-2-carbonyl)thiazole-4-carboxylate
Akhileshwari, P., Kiran, K.R., Sridhar, M.A., Sadashiva, M.P., Lokanath, N.K.
Published in Journal of molecular structure (15.10.2021)
Published in Journal of molecular structure (15.10.2021)
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A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis
S․, Neetha, T․N․, Lohith, C․, Santhosh, K․, Sheela, K․, Ravi Singh, M․A․, Sridhar, M․P․, Sadashiva
Published in Journal of molecular structure (05.01.2025)
Published in Journal of molecular structure (05.01.2025)
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Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach
Lohith, T.N., Hema, M.K., Karthik, C.S., S, Sandeep, Rajabathar, Jothi Ramalingam, Karnan, Muthusamy, Lokanath, N.K., Mallesha, L., Mallu, P., Sridhar, M.A.
Published in Journal of molecular structure (05.10.2023)
Published in Journal of molecular structure (05.10.2023)
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Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis
Lohith, T.N., Hema, M.K., Karthik, C.S., Sandeep, S., Mallesha, L., Alsaiari, Norah Salem, Sridhar, M.A., Katubi, Khadijah M., Abualnaja, Khamael M., Lokanath, N.K., Mallu, P., Kumaraswamy, S.R.
Published in Journal of molecular structure (15.10.2022)
Published in Journal of molecular structure (15.10.2022)
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Journal Article
Synthesis, Elucidation, Hirshfeld surface analysis, and DFT calculations of 4-chloro-N-[2-(2-1H-indol-3-yl-acetylamino)-phenyl]-benzamide
Geetha, D.V., Al-Ostoot, Fares Hezam, Mohammed, Yasser Hussein Eissa, Sridhar, M.A., Khanum, Shaukath Ara, Lokanath, N.K.
Published in Journal of molecular structure (15.02.2019)
Published in Journal of molecular structure (15.02.2019)
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