Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro S Bharadwaj, A Dubey, U Yadava, SK Mishra, SG Kang, VD Dwivedi Briefings in bioinformatics 22 (2), 1361-1377, 2021 | 128 | 2021 |
Discovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease S Bharadwaj, KE Lee, VD Dwivedi, U Yadava, A Panwar, SJ Lucas, ... Scientific reports 9 (1), 19059, 2019 | 103 | 2019 |
Synthesis, QSAR and anticandidal evaluation of 1, 2, 3-triazoles derived from naturally bioactive scaffolds M Irfan, B Aneja, U Yadava, SI Khan, N Manzoor, CG Daniliuc, M Abid European Journal of Medicinal Chemistry 93, 246-254, 2015 | 84 | 2015 |
Evaluation of caffeine as inhibitor against collagenase, elastase and tyrosinase using in silico and in vitro approach K Eun Lee, S Bharadwaj, U Yadava, S Gu Kang Journal of enzyme inhibition and medicinal chemistry 34 (1), 927-936, 2019 | 74 | 2019 |
Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition VD Dwivedi, S Bharadwaj, S Afroz, N Khan, MA Ansari, U Yadava, ... Journal of Biomolecular Structure and Dynamics 39 (4), 1417-1430, 2021 | 69 | 2021 |
Natural product-based 1, 2, 3-triazole/sulfonate analogues as potential chemotherapeutic agents for bacterial infections B Aneja, M Azam, S Alam, A Perwez, R Maguire, U Yadava, K Kavanagh, ... ACS omega 3 (6), 6912-6930, 2018 | 57 | 2018 |
Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations S Bharadwaj, A Dubey, NK Kamboj, AK Sahoo, SG Kang, U Yadava Scientific Reports 11 (1), 10169, 2021 | 47 | 2021 |
Stabilization of microtubules by taxane diterpenoids: insight from docking and MD simulations U Yadava, H Gupta, M Roychoudhury Journal of biological physics 41, 117-133, 2015 | 43 | 2015 |
Pyrazolo[3,4-d]pyrimidines as inhibitor of anti-coagulation and inflammation activities of phospholipase A 2 : insight from molecular docking studies U Yadava, M Singh, M Roychoudhury Journal of biological physics 39, 419-438, 2013 | 43 | 2013 |
Pyrazolo[3,4-d]pyrimidines as novel inhibitors of O-acetyl-l-serine sulfhydrylase of Entamoeba histolytica: an in silico study U Yadava, BK Shukla, M Roychoudhury, D Kumar Journal of molecular modeling 21, 1-13, 2015 | 36 | 2015 |
Structure-based screening and validation of bioactive compounds as Zika virus methyltransferase (MTase) inhibitors through first-principle density functional theory, classical … S Bharadwaj, AK Rao, VD Dwivedi, SK Mishra, U Yadava Journal of Biomolecular Structure and Dynamics 39 (7), 2338-2351, 2021 | 34 | 2021 |
Search algorithms and scoring methods in protein-ligand docking U Yadava Endocrinol Int J 6 (6), 359-367, 2018 | 34 | 2018 |
SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs S Bharadwaj, EI Azhar, MA Kamal, LH Bajrai, A Dubey, K Jha, U Yadava, ... Journal of Biomolecular Structure and Dynamics 40 (6), 2769-2784, 2022 | 31 | 2022 |
Structure-Based Identification of Natural Products as SARS-CoV-2 Mpro Antagonist from Echinacea angustifolia Using Computational Approaches S Bharadwaj, SA El-Kafrawy, TA Alandijany, LH Bajrai, AA Shah, A Dubey, ... Viruses 13 (2), 305, 2021 | 31 | 2021 |
Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties MM Masood, P Hasan, S Tabrez, MB Ahmad, U Yadava, CG Daniliuc, ... Bioorganic & Medicinal Chemistry Letters 27 (9), 1886-1891, 2017 | 31 | 2017 |
Gas-phase conformational and intramolecular π–π interaction studies on some pyrazolo [3, 4-d] pyrimidine derivatives U Yadava, M Singh, M Roychoudhury Computational and Theoretical Chemistry 977 (1-3), 134-139, 2011 | 29 | 2011 |
Synthesis, spectral characterization and antimicrobial studies of nano-sized oxovanadium (IV) complexes with Schiff bases derived from 5-(phenyl/substituted phenyl)-2-hydrazino … MK Sahani, U Yadava, OP Pandey, SK Sengupta Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 125, 189-194, 2014 | 28 | 2014 |
Diketo acids and their amino acid/dipeptidic analogues as promising scaffolds for the development of bacterial methionine aminopeptidase inhibitors MM Masood, VK Pillalamarri, M Irfan, B Aneja, MA Jairajpuri, M Zafaryab, ... RSC Advances 5 (43), 34173-34183, 2015 | 27 | 2015 |
Monocyclic β-lactam and unexpected oxazinone formation: synthesis, crystal structure, docking studies and antibacterial evaluation B Aneja, M Irfan, MI Hassan, A Prakash, U Yadava, CG Daniliuc, ... Journal of enzyme inhibition and medicinal chemistry 31 (5), 834-852, 2016 | 23 | 2016 |
Fine tuning of folded conformation by change of substituents: 1H NMR and crystallographic evidence for folded conformation due to arene interactions in pyrazolo [3, 4-d … K Avasthi, S Aswal, R Kumar, U Yadav, DS Rawat, PR Maulik Journal of molecular structure 750 (1-3), 179-185, 2005 | 22 | 2005 |