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One-pot synthesis, Spectral, X-ray crystal structure, Hirshfeld surface and computational study on potential inhibitory action of novel 1-benzyl-2-(4-methoxynaphthalen-1-yl)-4,5-diphenyl-1H-imidazole derivatives against COVID-19 main protease (Mpro: 6WCF/6Y84)
Anthony, L. Athishu, Nethaji, P., Sundararajan, G., Rajaraman, D.
Published in Journal of molecular structure (15.02.2022)
Published in Journal of molecular structure (15.02.2022)
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One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1 H -imidazole derivatives
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Published in Journal of molecular structure (05.02.2023)
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Published in Journal of molecular structure (05.02.2023)
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2,4-dichloro-6-(1,4,5-triphenyl-1 H -imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protease (Mpro: 6WCF/6Y84/6LU7)
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Published in Molecular physics (14.05.2024)
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Synthesis, NMR, anti-oxidant, anti-cancer activity, Molecular docking, DFT Calculations and in silico ADME analysis of 3′-benzoyl-4′-phenyl-5′-(piperazin-1-ylmethyl)spiro[indoline-3,2′-pyrrolidin]-2-one derivatives
Rajaraman, D., Anthony, L. Athishu, Sundararajan, G., Shanmugam, M., Arunkumar, A.
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Published in Journal of molecular structure (05.11.2023)
Published in Journal of molecular structure (05.11.2023)
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Synthesis, quantum chemical studies, molecular docking, molecular dynamics simulation and ADMET studies on 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1, 4,5-triphenyl-1 H -imidazole derivatives
Lorin, Solo, Rajaraman, D., Sonadevi, S., Jaganathan, R., Kumaradhas, P., Anthony, L. Athishu, Nagarajan, K., Raja, K.
Published in Molecular physics (17.06.2024)
Published in Molecular physics (17.06.2024)
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In silico rationalization of piperidin-4-one analogs as anaplastic lymphoma kinase inhibitors: Integration of density functional theory, topological descriptor, molecular docking and pharmacological feature profiling
Sonadevi, S., Rajaraman, D., Periyasami, G., Vijay, J. Sahaya, Roy, S., Augustine, Tony, Saritha, M., Anthony, L. Athishu
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Synthesis, Spectral techniques, X-ray Crystal structure, DFT method, Hirshfeld surface analysis and Molecular docking studies of 1-(furan-2-yl)methyl)-4,5-diphenyl-2-(p-tolyl)-1H-imidazole
Anthony, L. Athishu, Rajaraman, D., Shanmugam, M., Krishnasamy, K.
Published in Chemical Data Collections (01.08.2020)
Published in Chemical Data Collections (01.08.2020)
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