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Crystal structure, Hirshfeld analysis and computational study on tin (IV) complex: Insights from synthesis, spectroscopic, anticancer activity and molecular docking studies Manoj, K. P.; Elangovan, N.; Sowrirajan, S.; Chandrasekar, S.; Arumugam, Natarajan; Almansour, Abdulrahman I.; Altaf, Mohammad; Mahalingam, Sakkarapalayam M. 分享 收藏
Non-covalent interaction, biological activity prediction, topology and molecular docking studies on adenine derivative 腺嘌呤衍生物的非共价相互作用、生物活性预测、拓扑和分子对接研究 Durai, D. Raja; Elangovan, N.; Sowrirajan, S.; Arumugam, Natarajan; Ganesan, T. Sankar; Almansour, Abdulrahman I.; Mathew, Shanty; Mahalingam, Sakkarapalayam M. 分享 收藏
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Synthesis, characterization, DFT, vibrational analysis (FT-IR and FT-Raman), topology and molecular docking studies of 3,3′-((1E,1′E)-((sulfonylbis(4,1-phenylene)) bis (azaneylylidene)) bis (methaneylylidene)) diphenol Gobi, T.; Elangovan, N.; Sowrirajan, S.; Islam, Mohammad Shahidul; Sirajunnisa, A. 分享 收藏
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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. 分享 收藏
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) 通过分子结构,波函数研究,生物活性预测和分子对接研究4,4-((1,2-亚苯基双 (氮烷基亚)) 双 (甲基亚)) 双 (2-甲氧基苯酚) 的溶剂的影响 Elangovan, N.; Ganesan, T. Sankar; Vignesh, R.; Alomar, Suliman Yousef; Sowrirajan, S.; Chandrasekar, S.; Kalanthoden, Abdul Nasar; Nawaz, Asad 分享 收藏
Synthesis, solvent role (water and DMSO), antimicrobial activity, reactivity analysis, inter and intramolecular charge transfer, topology, and molecular docking studies on adenine derivative Elangovan, N.; Sowrirajan, S.; Arumugam, Natarajan; Almansour, Abdulrahman I.; Mahalingam, Sakkarapalayam M.; Kanchana, S. 分享 收藏
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. 分享 收藏
Structural, electronic features, photoluminescence property, antimicrobial activity and spectral properties of 5-bromosalicylaldehyde derivative Elangovan, N.; Pandian, P.; Kasthuri, A.; Sowrirajan, S.; Arumugam, Natarajan; Almansour, Abdulrahman I.; Perumal, Karthikeyan 分享 收藏
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Synthesis, characterization, computational, excited state properties, wave function, and molecular docking studies of (E)-4-((2-hydroxybenzylidene) amino)N-(thiazol-2-yl) benzenesulfonamide Kanagavalli, A.; Jayachitra, R.; Thilagavathi, G.; Elangovan, N.; Sowrirajan, S.; Thomas, Renjith 分享 收藏
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Synthesis, Computational, Electronic spectra, and molecular docking studies of 4-((diphenylmethylene)amino)-N-(pyrimidin-2-yl) benzenesulfonamide Jayachitra, R.; Thilagavathi, G.; Kanagavalli, A.; Elangovan, N.; Sirajunnisa, A.; Sowrirajan, S.; Thomas, Renjith 分享 收藏
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Synthesis, structural, spectral, computational, docking and biological activities of Schiff base (E)-4-bromo-2-hydroxybenzylidene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide from 5-bromosalicylalde- hyde and sulfadiazine Kanagavalli, A.; Jayachitra, R.; Thilagavathi, G.; Padmavathy, M.; Elangovan, N.; Sowrirajan, S.; Thomas, Renjith 分享 收藏