| Application of docking and active site analysis for enzyme linked biodegradation of textile dyes S Srinivasan, SK Sadasivam, S Gunalan, G Shanmugam, G Kothandan Environmental Pollution 248, 599-608, 2019 | 99 | 2019 |
| Berberine and Emodin abrogates breast cancer growth and facilitates apoptosis through inactivation of SIK3-induced mTOR and Akt signaling pathway L Ponnusamy, G Kothandan, R Manoharan Biochimica et Biophysica Acta (BBA)-Molecular Basis of Disease 1866 (11), 165897, 2020 | 66 | 2020 |
| Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study G Kothandan, CG Gadhe, SJ Cho PloS one 7 (3), e32864, 2012 | 65 | 2012 |
| Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domain G Kothandan, CG Gadhe, T Madhavan, CH Choi, SJ Cho European journal of medicinal chemistry 46 (9), 4078-4088, 2011 | 65 | 2011 |
| Large variation in electrostatic contours upon addition of steric parameters and the effect of charge calculation schemes in CoMFA on mutagenicity of MX analogues CG Gadhe, G Kothandan, SJ Cho Molecular Simulation 38 (11), 861-871, 2012 | 40 | 2012 |
| In Silico Quantitative Structure-Activity Relationship Studies on P-gp Modulators of Tetrahydroisoquinoline-Ethyl-Phenylamine Series CG Gadhe, T Madhavan, G Kothandan, SJ Cho BMC structural biology 11, 1-15, 2011 | 35 | 2011 |
| Evaluation of potential drugs against leishmaniasis targeting catalytic subunit of Leishmania donovani nuclear DNA primase using ligand based virtual screening … D Bhowmik, R Jagadeesan, P Rai, R Nandi, K Gugan, D Kumar Journal of Biomolecular Structure and Dynamics 39 (5), 1838-1852, 2021 | 28 | 2021 |
| In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study A Balupuri, CG Gadhe, PK Balasubramanian, G Kothandan, SJ Cho Archives of pharmacal research 37, 1001-1015, 2014 | 27 | 2014 |
| Magnolol inhibits LPS-induced NF-κB/Rel activation by blocking p38 kinase in murine macrophages MH Li, G Kothandan, SJ Cho, PTT Huong, YH Nan, KY Lee, SY Shin, ... The Korean Journal of Physiology & Pharmacology: Official Journal of the …, 2010 | 24 | 2010 |
| Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions P Kirubakaran, G Kothandan, SJ Cho, K Muthusamy Molecular BioSystems 10 (2), 281-293, 2014 | 23 | 2014 |
| Binding Site Analysis of CCR2 Through In Silico Methodologies: Docking, CoMFA, and CoMSIA G Kothandan, CG Gadhe, T Madhavan, SJ Cho Chemical biology & drug design 78 (1), 161-174, 2011 | 22 | 2011 |
| Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics … CG Gadhe, G Kothandan, SJ Cho Journal of Biomolecular Structure and Dynamics 31 (11), 1251-1276, 2013 | 19 | 2013 |
| A combined 3D QSAR and pharmacophore-based virtual screening for the identification of potent p38 MAP kinase inhibitors: An in silico approach G Kothandan, T Madhavan, CG Gadhe, SJ Cho Medicinal Chemistry Research 22, 1773-1787, 2013 | 19 | 2013 |
| QSAR analysis on PfPK7 inhibitors using HQSAR, CoMFA, and CoMSIA T Madhavan, G Kothandan, CG Gadhe, SJ Cho Medicinal Chemistry Research 21, 681-693, 2012 | 18 | 2012 |
| Ligand based CoMFA, CoMSIA and HQSAR analysis of CCR5 antagonists CG Gadhe, SH Lee, T Madhavan, G Kothandan, DB Choi, SJ Cho Bulletin of the Korean Chemical Society 31 (10), 2761-2770, 2010 | 18 | 2010 |
| Molecular Structure, ft-raman, ir, nlo, nbo, homo–lumo analysis, physicochemical descriptors, adme parameters, and pharmacokinetic bioactivity of 2, 3, 5, 6-tetrachloro-p … A Suvitha, MAM El-Mansy, G Kothandan, A Steephen Journal of Structural Chemistry 62, 1339-1356, 2021 | 15 | 2021 |
| Various atomic charge calculation schemes of CoMFA on HIF‐1 inhibitors of moracin analogs T Madhavan, CG Gadhe, G Kothandan, K Lee, SJ Cho International Journal of Quantum Chemistry 112 (4), 995-1005, 2012 | 15 | 2012 |
| Understanding the dual mechanism of bioactive peptides targeting the enzymes involved in Renin Angiotensin System (RAS): An in-silico approach S Gunalan, K Somarathinam, J Bhattacharya, S Srinivasan, SM Jaimohan, ... Journal of Biomolecular Structure and Dynamics 38 (17), 5044-5061, 2020 | 14 | 2020 |
| In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: Homology modeling, docking and 3D-QSAR approach PK Balasubramanian, A Balupuri, G Kothandan, SJ Cho Bioorganic & Medicinal Chemistry Letters 24 (3), 928-933, 2014 | 14 | 2014 |
| 3D‐QSAR studies of jnk1 inhibitors utilizing various alignment methods T Madhavan, JY Chung, G Kothandan, CG Gadhe, SJ Cho Chemical Biology & Drug Design 79 (1), 53-67, 2012 | 14 | 2012 |
