| Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase RJ Khan, RK Jha, GM Amera, M Jain, E Singh, A Pathak, RP Singh, ... Journal of Biomolecular Structure and Dynamics 39 (8), 2679-2692, 2021 | 330 | 2021 |
| A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods E Singh, RJ Khan, RK Jha, GM Amera, M Jain, RP Singh, ... Journal of Genetic Engineering and Biotechnology 18 (1), 69, 2020 | 49 | 2020 |
| Molecular interactions of cefoperazone with bovine serum albumin: Extensive experimental and computational investigations MS Ali, J Muthukumaran, M Jain, T Santos-Silva, HA Al-Lohedan, ... Journal of Molecular Liquids 337, 116354, 2021 | 37 | 2021 |
| Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study RJ Khan, RK Jha, E Singh, M Jain, GM Amera, RP Singh, ... Journal of Biomolecular Structure and Dynamics 40 (1), 438-448, 2022 | 31 | 2022 |
| Biological evaluation of gallic acid and quercetin derived from Ceriops tagal: insights from extensive in vitro and in silico studies V Sachithanandam, A Parthiban, P Lalitha, J Muthukumaran, M Jain, ... Journal of Biomolecular Structure and Dynamics 40 (4), 1490-1502, 2022 | 26 | 2022 |
| A comprehensive in silico and in vitro studies on quinizarin: a promising phytochemical derived from Rhizophora mucronata Lam V Sachithanandam, P Lalitha, A Parthiban, J Muthukumaran, M Jain, ... Journal of Biomolecular Structure and Dynamics 40 (16), 7218-7229, 2022 | 19 | 2022 |
| Insights into biological role of plant defense proteins: A review M Jain, GM Amera, J Muthukumaran, AK Singh Biocatalysis and Agricultural Biotechnology 40, 102293, 2022 | 16 | 2022 |
| Experimental and in silico investigation on the interaction of indomethacin with bovine serum albumin: Effect of sodium dodecyl sulfate surfactant monomers on the binding MSAJMMJASSASHA Al-Lohedan Journal of Molecular Liquids, 2021 | 15 | 2021 |
| Experimental and computational investigation on the binding of anticancer drug gemcitabine with bovine serum albumin MS Ali, J Muthukumaran, M Jain, HA Al-Lohedan, MA Farah, OI Alsowilem Journal of Biomolecular Structure and Dynamics 40 (19), 9144-9157, 2022 | 14 | 2022 |
| Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug … GM Amera, RJ Khan, A Pathak, RK Jha, M Jain, J Muthukumaran, ... Journal of Molecular Graphics and Modelling 100, 107675, 2020 | 13 | 2020 |
| Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular … RK Jha, RJ Khan, GM Amera, E Singh, A Pathak, M Jain, J Muthukumaran, ... Journal of Molecular Modeling 26, 1-17, 2020 | 12 | 2020 |
| Shedding light on structure, function and regulation of human sirtuins: a comprehensive review A Sharma, P Mahur, J Muthukumaran, AK Singh, M Jain 3 Biotech 13 (1), 29, 2023 | 11 | 2023 |
| Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CLpro from SARS-CoV-2: An integrated in silico approach RK Jha, RJ Khan, A Parthiban, E Singh, M Jain, GM Amera, RP Singh, ... Journal of Biomolecular Structure and Dynamics 40 (24), 13392-13411, 2022 | 8 | 2022 |
| An extensive computational study to identify potential inhibitors of Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE) RK Jha, RJ Khan, E Singh, A Kumar, M Jain, J Muthukumaran, AK Singh Journal of Molecular Graphics and Modelling 114, 108168, 2022 | 8 | 2022 |
| Structural and functional characterization of chitin binding lectin from Datura stramonium: insights from phylogenetic analysis, protein structure prediction, molecular … M Jain, J Muthukumaran, AK Singh Journal of Biomolecular Structure and Dynamics 39 (5), 1698-1716, 2021 | 8 | 2021 |
| A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2 E Singh, RK Jha, RJ Khan, A Kumar, M Jain, J Muthukumaran, AK Singh Computational biology and chemistry 99, 107721, 2022 | 6 | 2022 |
| Isolation and biological evaluation 7-hydroxy flavone from Avicennia Officinalis L: Insights from extensive in vitro, DFT, Molecular docking and Molecular dynamics simulation … RR A Parthiban, V Sachithanandam, P Lalitha, Dhanasekar Elumalai ... J Biomol Struct Dyn ., 1-13, 2022 | 6* | 2022 |
| Comparative structural and functional analysis of STL and SLL, chitin-binding lectins from Solanum spp. M Jain, J Muthukumaran, AK Singh Journal of Biomolecular Structure and Dynamics 39 (13), 4907-4922, 2021 | 5 | 2021 |
| Isolation, characterisation, anticancer and anti-oxidant activities of 2-methoxy mucic acid from Rhizophora apiculata: an in vitro and in silico studies A Parthiban, V Sachithanandam, P Lalitha, J Muthukumaran, R Misra, ... Journal of Biomolecular Structure and Dynamics 41 (4), 1424-1436, 2023 | 4 | 2023 |
| Targeting multi-drug-resistant Acinetobacter baumannii: a structure-based approach to identify the promising lead candidates against glutamate racemase A Kumar, E Singh, RK Jha, RJ Khan, M Jain, S Varshney, ... Journal of Molecular Modeling 29 (6), 188, 2023 | 3 | 2023 |
