| Strong binding of leupeptin with TMPRSS2 protease may be an alternative to camostat and nafamostat for SARS-CoV-2 repurposed drug: Evaluation from molecular docking and … J Ramakrishnan, S Kandasamy, A Iruthayaraj, S Magudeeswaran, ... Applied Biochemistry and Biotechnology 193 (6), 1909-1923, 2021 | 10 | 2021 |
| Gelatin/polyvinyl alcohol loaded magnesium hydroxide nanocomposite attenuates neurotoxicity and oxidative stress in Alzheimer's disease induced rats M Rajkumar, K Vimala, DD Tamiliniyan, R Thangaraj, R Jaganathan, ... International Journal of Biological Macromolecules 222, 2122-2143, 2022 | 8 | 2022 |
| Synthesis, crystal structure, Hirshfeld surface analysis, DFT, molecular docking and molecular dynamic simulation studies of (E)-2, 6-bis (4-chlorophenyl)-3-methyl-4-(2-(2, 4 … LA Anthony, D Rajaraman, G Sundararajan, M Suresh, P Nethaji, ... Journal of Molecular Structure 1266, 133483, 2022 | 7 | 2022 |
| Insights on structure and interactions of 2-amino-4-methoxy-6-methylpyrimidinium salts with 4-aminosalicylate and 5-chlorosalicylate: a combined experimental and theoretical … S Suresh, S Kandasamy, H Balasubramanian, J Ramakrishnan, ... Acta Crystallographica Section C: Structural Chemistry 78 (3), 181-191, 2022 | 4 | 2022 |
| Halogen-based 17β-HSD1 inhibitors: insights from DFT, docking, and molecular dynamics simulation studies A Kulandaisamy, M Panneerselvam, RV Solomon, M Jaccob, ... Molecules 27 (12), 3962, 2022 | 3 | 2022 |
| Binding mechanism of anacardic acid, carnosol and garcinol with PCAF: A comprehensive study using molecular docking and molecular dynamics simulations and binding free energy … R Jaganathan, P Kumaradhas Journal of Cellular Biochemistry 124 (5), 731-742, 2023 | 2 | 2023 |
| Investigation of intermolecular interactions and binding mechanism of PU139 and PU141 molecules with p300 HAT enzyme via molecular docking, molecular dynamics simulations and … J Ramakrishnan, S Magudeeswaran, S Suresh, K Poomani Journal of Biomolecular Structure and Dynamics 41 (4), 1351-1365, 2022 | 2 | 2022 |
| Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules S Suganya, K Saravanan, R Jaganathan, P Kumaradhas Acta Crystallographica Section C: Structural Chemistry 77 (12), 790-799, 2021 | 2 | 2021 |
| Lawsonia inermis flower aqueous extract expressed better anti-alpha-glucosidase and anti-acetylcholinesterase activity and their molecular dynamics I Shahanaj, J Ramakrishnan, K Poomani, N Devarajan Journal of Biomolecular Structure and Dynamics 41 (23), 13752-13765, 2023 | 1 | 2023 |
| Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study A Chinnamadhu, J Ramakrishnan, S Suresh, P Ramadurai, K Poomani Journal of Biomolecular Structure and Dynamics 41 (20), 10396-10410, 2023 | 1 | 2023 |
| Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study A Chinnamadhu, J Ramakrishnan, S Suresh, K Poomani Journal of Biomolecular Structure and Dynamics 42 (8), 4283-4296, 2024 | | 2024 |
| Synthesis, DFT, in-silico molecular docking, molecular dynamic simulation and ADMET studies of (Z)-2,6-bis(4-bromophenyl)-3,3-dimethyl-4-(2-(2,4,6 … S Lorin, R Dhanakotti, S Selvam, R Jaganathan, P Kumaradhas, ... Zeitschrift für Physikalische Chemie, 2024 | | 2024 |
| 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 … S Lorin, D Rajaraman, S Sonadevi, R Jaganathan, P Kumaradhas, ... Molecular Physics, e2295427, 2023 | | 2023 |
| Phytochemical profiling, human insulin stability and alpha glucosidase inhibition of Gymnema latifolium leaves aqueous extract: Exploring through experimental and in silico … S Ismail, TI Chandel, J Ramakrishnan, RH Khan, K Poomani, ... Computational Biology and Chemistry 107, 107964, 2023 | | 2023 |
| N'-(3, 4-dimethoxybenzylidene)-4-methylbenzenesulfonohydrazide derivatives: Synthesis, quantum chemical method, in silico ADMET, molecular docking and molecular dynamic simulations S Lorin, LA Anthony, R Jaganathan, P Kumaradhas, D Rajaraman, K Raja Journal of Molecular Structure 1291, 135933, 2023 | | 2023 |
| Probing the binding nature and stability of highly transmissible mutated variant alpha to omicron of SARS‐CoV‐2 RBD with ACE2 via molecular dynamics simulation J Ramakrishnan, A Chinnamadhu, S Suresh, K Poomani Journal of Cellular Biochemistry 124 (8), 1115-1134, 2023 | | 2023 |
| The effect of genotype variation and M423 resistance mutations to the binding of phosphonomidate-based inhibitor IDX17119 with the thumb-II domain of Hepatitis C virus RdRp: an … S Manjula, C Kalaiarasi, R Jaganathan, P Kumaradhas Molecular Simulation 49 (2), 164-174, 2022 | | 2022 |
Kumaradhas PoomaniProfessor and Head, Department of Physics, Periyar UniversityVerified email at periyaruniversity.ac.in
