R Jaganathan, Manjupriya J, Thamizhmathi T. 2024. 'In-Silico Molecular Interaction and Pharmacokinetic Evaluation of Remimazolam and Major Intravenous Anesthetics Targeting GABAA Receptors', Texila International Journal of Public Health Art011 (2024). Article link.
R Jaganathan, P Kumaradhas. 2024. 'Structural insights into Furin enzyme inhibition to block SARS-CoV-2 spike protein cleavage: an in-silico approach', 3 Biotech 14, 213 (2024). Article link.
S Lorin, D Rajaraman, S Sonadevi, R Jaganathan, P Kumaradhas, L Athishu Anthony, K Nagarajan, K Raja. 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-imidazole derivatives, Molecular Physics, 17 June 2024. Article link.
Archana C, Jaganathan R, Suganya S, Kumaradhas P. 2024. Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study, Journal of Biomolecular Structure and Dynamics, 23 May 2024. Article link.
Lorin S, Rajaraman D, Sonadevi D, Jaganathan R, Kumaradhas P, Nagaraj K, Raja K. 2023. 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-trichlorophenyl) hydrazono) piperidine derivatives against the SARS-CoV-2 main-protease . Zeitschrift für Physikalische Chemie, 25 April 2024. Article link.
Shahanaj I, Jaganathan R, Kumaradhas P, Natarajan D. 2023. Lawsonia inermis flower aqueous extract expressed better anti-alpha-glucosidase and anti-acetylcholinesterase activity and their molecular dynamics, Journal of Biomolecular Structure and Dynamics, 29 December 2023. Article link.
Archana C, Jaganathan R, Suganya S, Prakash R, Kumaradhas P. 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, Journal of Biomolecular Structure and Dynamics, 21 December 2023. Article link.
Shahanaj I, Tajalli Ilm C, Jaganathan R, Rizwan HK, Kumaradhas P, Natarajan D. 2023. Phytochemical profiling, human insulin stability and alpha glucosidase inhibition of Gymnema latifolium leaves aqueous extract: Exploring through experimental and in silico approach, Computational Biology and Chemistry, 1 December 2023. Article link.
Solo Lorin, L Athishu Anthony, R Jaganathan, P Kumaradhas, D Rajaraman, K Raja. 2023. N'-(3, 4-dimethoxybenzylidene)-4-methylbenzenesulfonohydrazide derivatives: Synthesis, quantum chemical method, in silico ADMET, molecular docking and molecular dynamic simulations, Journal of Molecular Structure, 5 November 2023. Article link.
Jaganathan R, Archana C, Suganya S, Kumaradhas P. 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, Journal of Cellular Biochemistry, August 2023. Article link.
Jaganathan R, Kumaradhas P. 2023. Binding mechanism of anacardic acid, carnosol and garcinol with PCAF: A comprehensive study using molecular docking and molecular dynamics simulations and binding free energy analysis, Journal of Cellular Biochemistry, May 2023. Article link.
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