| Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein SA Kulkarni, SK Nagarajan, V Ramesh, V Palaniyandi, SP Selvam, ... Journal of Molecular Structure 1221, 128823, 2020 | 216 | 2020 |
| 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 |
| MLACP 2.0: An updated machine learning tool for anticancer peptide prediction HW Park, T Pitti, T Madhavan, YJ Jeon, B Manavalan Computational and Structural Biotechnology Journal 20, 4473-4480, 2022 | 52 | 2022 |
| Anti‐inflammatory role demonstrated both in vitro and in vivo models using nonsteroidal tetranortriterpenoid, Nimbin (N1) and its analogs (N2 and N3) that alleviate the … G Sudhakaran, P Prathap, A Guru, R Rajesh, S Sathish, T Madhavan, ... Cell Biology International 46 (5), 771-791, 2022 | 46 | 2022 |
| Antiviral essential oil components against SARS-CoV-2 in pre-procedural mouth rinses for dental settings during COVID-19: A computational study PK Yadalam, K Varatharajan, K Rajapandian, P Chopra, ... Frontiers in chemistry 9, 642026, 2021 | 41 | 2021 |
| 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 |
| Identification of potent and selective JAK1 lead compounds through ligand-based drug design approaches S Babu, SK Nagarajan, S Sathish, VS Negi, H Sohn, T Madhavan Frontiers in Pharmacology 13, 837369, 2022 | 21 | 2022 |
| Antifungal activity of wild bergamot (Monarda fistulosa) essential oil against postharvest fungal pathogens of banana fruits SA Kulkarni, PS Sellamuthu, SK Nagarajan, T Madhavan, ER Sadiku South African Journal of Botany 144, 166-174, 2022 | 21 | 2022 |
| 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 | 21 | 2011 |
| Computational Analysis of CRTh2 receptor antagonist: A Ligand-based CoMFA and CoMSIA approach S Babu, H Sohn, T Madhavan Computational Biology and Chemistry 56, 109-121, 2015 | 20 | 2015 |
| 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 |
| In vitro and in silico evaluation of antifungal activity of cassia (Cinnamomum cassia) and holy basil (Ocimum tenuiflorum) essential oils for the control of … SA Kulkarni, PS Sellamuthu, DPM Anitha, T Madhavan Chemical Papers 75 (5), 2043-2057, 2021 | 18 | 2021 |
| 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 | 17 | 2010 |
| Toward a better understanding of the interaction between somatostatin receptor 2 and its ligands: a structural characterization study using molecular dynamics and conceptual … SK Nagarajan, S Babu, H Sohn, P Devaraju, T Madhavan Journal of Biomolecular Structure and Dynamics, 2019 | 15 | 2019 |
| 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 |
| 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 | 15 | 2012 |
| Morin inhibits colon cancer stem cells by inhibiting PUM1 expression in vitro R Gor, L Saha, S Agarwal, U Karri, A Sohani, T Madhavan, ... Medical Oncology 39 (12), 251, 2022 | 13 | 2022 |
| Understanding the structural features of JAK2 inhibitors: a combined 3D-QSAR, DFT and molecular dynamics study S Babu, SK Nagarajan, T Madhavan Molecular Diversity 23, 845-874, 2019 | 13 | 2019 |
| Molecular-level understanding of the somatostatin receptor 1 (SSTR1)–ligand binding: a structural biology study based on computational methods SK Nagarajan, S Babu, H Sohn, T Madhavan ACS omega 5 (33), 21145-21161, 2020 | 11 | 2020 |
