| 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 |
| Crystal structure of lactoperoxidase at 2.4 Å resolution AK Singh, N Singh, S Sharma, SB Singh, P Kaur, A Bhushan, ... Journal of molecular biology 376 (4), 1060-1075, 2008 | 139 | 2008 |
| Lactoperoxidase: structural insights into the function, ligand binding and inhibition S Sharma, AK Singh, S Kaushik, M Sinha, RP Singh, P Sharma, H Sirohi, ... International journal of biochemistry and molecular biology 4 (3), 108, 2013 | 127 | 2013 |
| Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-Å resolution AK Singh, N Singh, S Sharma, K Shin, M Takase, P Kaur, A Srinivasan, ... Biophysical Journal 96 (2), 646-654, 2009 | 66 | 2009 |
| Structural evidence of substrate specificity in mammalian peroxidases: structure of the thiocyanate complex with lactoperoxidase and its interactions at 2.4 Å resolution IA Sheikh, AK Singh, N Singh, M Sinha, SB Singh, A Bhushan, P Kaur, ... Journal of biological chemistry 284 (22), 14849-14856, 2009 | 64 | 2009 |
| Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 Å resolution AK Singh, RP Kumar, N Pandey, N Singh, M Sinha, A Bhushan, P Kaur, ... Journal of biological chemistry 285 (2), 1569-1576, 2010 | 57 | 2010 |
| Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic … AK Singh, N Singh, M Sinha, A Bhushan, P Kaur, A Srinivasan, S Sharma, ... Journal of biological chemistry 284 (30), 20311-20318, 2009 | 53 | 2009 |
| 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 |
| 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 |
| Structural evidence for the order of preference of inorganic substrates in mammalian heme peroxidases: crystal structure of the complex of lactoperoxidase with four inorganic … AK Singh, N Pandey, M Sinha, P Kaur, S Sharma, TP Singh International Journal of Biochemistry and Molecular Biology 2 (4), 328, 2011 | 27 | 2011 |
| First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases AK Singh, N Singh, A Tiwari, M Sinha, GS Kushwaha, P Kaur, ... JBIC Journal of Biological Inorganic Chemistry 15, 1099-1107, 2010 | 23 | 2010 |
| Bovine carbonyl lactoperoxidase structure at 2.0 Å resolution and infrared spectra as a function of pH AK Singh, ML Smith, S Yamini, PI Ohlsson, M Sinha, P Kaur, S Sharma, ... The protein journal 31, 598-608, 2012 | 20 | 2012 |
| Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling … GM Amera, RJ Khan, A Pathak, RK Jha, J Muthukumaran, AK Singh Journal of Biomolecular Structure and Dynamics 38 (17), 5230-5252, 2020 | 19 | 2020 |
| Structure based in-silico study on UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2, 6-diaminopimelate ligase (MurE) from Acinetobacter baumannii as a drug target against nosocomial … GM Amera, RJ Khan, A Pathak, A Kumar, AK Singh Informatics in Medicine Unlocked 16, 100216, 2019 | 17 | 2019 |
| Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases–structural determination of the lactoperoxidase–methimazole complex at 1.97 Å resolution RP Singh, A Singh, HV Sirohi, AK Singh, P Kaur, S Sharma, TP Singh FEBS open bio 6 (7), 640-650, 2016 | 17 | 2016 |
| 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 |
| 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 |
| Computer aided ligand based screening for identification of promising molecules against enzymes involved in peptidoglycan biosynthetic pathway from Acinetobacter baumannii GM Amera, RJ Khan, A Pathak, RK Jha, J Muthukumaran, AK Singh Microbial Pathogenesis 147, 104205, 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 |
