| Synthesis and characterization of novel bioactive azo compounds fused with benzothiazole and their versatile biological applications S Prakash, G Somiya, N Elavarasan, K Subashini, S Kanaga, ... Journal of Molecular Structure 1224, 129016, 2021 | 61 | 2021 |
| Design and molecular dynamic investigations of 7, 8-dihydroxyflavone derivatives as potential neuroprotective agents against alpha-synuclein T Mohankumar, V Chandramohan, HS Lalithamba, RL Jayaraj, ... Scientific reports 10 (1), 599, 2020 | 52 | 2020 |
| Isolation of hesperetin-A flavonoid from Cordia sebestena flower extract through antioxidant assay guided method and its antibacterial, anticancer effect on cervical cancer via … S Prakash, N Elavarasan, K Subashini, S Kanaga, R Dhandapani, ... Journal of Molecular Structure 1207, 127751, 2020 | 39 | 2020 |
| Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy … I Ancy, M Sivanandam, P Kumaradhas Journal of Biomolecular Structure and Dynamics 39 (15), 5368-5375, 2021 | 26 | 2021 |
| Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis K Saravanan, M Sivanandam, G Hunday, L Mathiyalagan, P Kumaradhas Journal of Biomolecular Structure and Dynamics 37 (9), 2339-2354, 2019 | 23 | 2019 |
| Probing the “fingers” domain binding pocket of Hepatitis C virus NS5B RdRp and D559G resistance mutation via molecular docking, molecular dynamics simulation and binding free … S Manjula, M Sivanandam, P Kumaradhas Journal of Biomolecular Structure and Dynamics 37 (9), 2440-2456, 2019 | 14 | 2019 |
| Insights into intermolecular interactions, electrostatic properties and the stability of C646 in the binding pocket of p300 histone acetyltransferase enzyme: a combined … M Sivanandam, K Saravanan, P Kumaradhas Journal of Biomolecular Structure and Dynamics 36 (12), 3246-3264, 2018 | 12 | 2018 |
| 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 |
| Identification of novel flavonoid inhibitor of Catechol-O-Methyltransferase enzyme by molecular screening, quantum mechanics/molecular mechanics and molecular dynamics simulations H Govindasamy, S Magudeeswaran, K Poomani Journal of Biomolecular Structure and Dynamics 38 (18), 5307-5319, 2020 | 10 | 2020 |
| Binding mechanism of naringenin with monoamine oxidase–B enzyme: QM/MM and molecular dynamics perspective H Govindasamy, S Magudeeswaran, S Kandasamy, K Poomani Heliyon 7 (4), 2021 | 9 | 2021 |
| Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study K Saravanan, M Sivanandam, G Hunday, MS Pavan, P Kumaradhas Journal of Molecular Graphics and Modelling 92, 280-295, 2019 | 8 | 2019 |
| Bio-efficacy of insecticidal molecule emodin against dengue, filariasis, and malaria vectors R Chinnasamy, B Govindasamy, M Venkatesh, S Magudeeswaran, ... Environmental Science and Pollution Research 30 (22), 61842-61862, 2023 | 7 | 2023 |
| Investigation of activation mechanism and conformational stability of N-(4-chloro-3-trifluoromethyl-phenyl)-2-ethoxybenzamide and N-(4-chloro-3-trifluoromethyl-phenyl)-2-ethoxy … M Sivanandam, S Manjula, P Kumaradhas Journal of Biomolecular Structure and Dynamics, 2019 | 6 | 2019 |
| Binding mechanism of spinosine and venenatine molecules with p300 HAT enzyme: Molecular screening, molecular dynamics and free‐energy analysis S Magudeeswaran, K Poomani Journal of cellular biochemistry 121 (2), 1759-1777, 2020 | 5 | 2020 |
| Gelatin/polyethylene glycol-loaded magnesium hydroxide nanocomposite to attenuate acetylcholinesterase, neurotoxicity, and activation of GPR55 protein in rat models of … M Rajkumar, S Navaneethakrishnan, S Muthukumar, R Thangaraj, ... Journal of Chemical Neuroanatomy 133, 102337, 2023 | 3 | 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, 2023 | 2 | 2023 |
| Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study C Kalaiarasi, M Sivanandam, S Suganya, G Christy, RG Gonnade, ... Journal of Molecular Structure 1220, 128714, 2020 | 2 | 2020 |
| Insights of inhibition mechanism of sifuvirtide and MT-sifuvirtide against wild and mutant HIV-1 envelope glycoprotein41: a molecular dynamics simulation and binding free … I Ancy, M Sivanandam, R Kalaivani, P Kumaradhas Molecular Simulation 46 (6), 429-439, 2020 | 2 | 2020 |
| Binding mechanism, conformation, and stability of diflunisal and mycophenolic acid with p300 HAT enzyme using molecular dynamics simulation and binding free energy analysis S Magudeeswaran, K Poomani Medicinal Chemistry Research 29 (3), 504-518, 2020 | 2 | 2020 |
| Author Correction: Design and Molecular dynamic Investigations of 7, 8-Dihydroxyflavone Derivatives as Potential Neuroprotective Agents Against Alpha-synuclein T Mohankumar, V Chandramohan, HS Lalithamba, RL Jayaraj, ... Scientific Reports 10, 2020 | 1 | 2020 |
Kumaradhas PoomaniProfessor and Head, Department of Physics, Periyar UniversityVerified email at periyaruniversity.ac.in
