Synthesis of bis-pyrrolizidine-fused dispiro-oxindole analogues of curcumin via one-pot azomethine ylide cycloaddition: experimental and computational approach toward regio-and … YP Bharitkar, M Das, N Kumari, MP Kumari, A Hazra, SS Bhayye, ... Organic letters 17 (18), 4440-4443, 2015 | 28 | 2015 |
In silico modeling for quick prediction of inhibitory pro activity against 3CL enzyme in SARS CoV diseases P De, S Bhayye, V Kumar, K Roy Journal of Biomolecular Structure and Dynamics, 2020 | 27* | 2020 |
Pharmacophore generation, atom-based 3D-QSAR, HQSAR and activity cliff analyses of benzothiazine and deazaxanthine derivatives as dual A2A antagonists/MAO‑B inhibitors SS Bhayye, K Roy, A Saha SAR and QSAR in Environmental Research 27 (3), 183-202, 2016 | 25 | 2016 |
Anticancer Drug Discovery based on Natural products: from computational approaches to Clinical studies P Chunarkar-Patil, M Kaleem, R Mishra, S Ray, A Ahmad, D Verma, ... Biomedicines 12 (1), 201, 2024 | 16 | 2024 |
Diabetes mellitus caused by mutations in human insulin: analysis of impaired receptor binding of insulins Wakayama, Los Angeles and Chicago using pharmacoinformatics MA Islam, S Bhayye, AA Adeniyi, MES Soliman, TS Pillay Journal of Biomolecular Structure and Dynamics 35 (4), 724-737, 2016 | 16 | 2016 |
Andrographolide inhibits human serum albumin fibril formations through site-specific molecular interactions A Basu, S Bhayye, S Kundu, A Das, A Mukherjee RSC advances 8 (54), 30717-30724, 2018 | 15 | 2018 |
Molecular dynamics simulation study reveals polar nature of pathogenic mutations responsible for stabilizing active conformation of kinase domain in leucine-rich repeat kinase II SS Bhayye, K Roy, A Saha Structural Chemistry 29, 657-666, 2018 | 10 | 2018 |
Exploring structural requirement, pharmacophore modeling, and de novo design of LRRK2 inhibitors using homology modeling approach SS Bhayye, K Roy, A Saha Medicinal Chemistry Research 23, 3705-3713, 2014 | 10 | 2014 |
Supramolecular assembly of amino acid based cationic polymer for efficient gene transfection efficiency in triple negative breast cancer R Saha, S Bhayye, S Ghosh, A Saha, K Sarkar ACS Applied Bio Materials 2 (12), 5349-5365, 2019 | 9 | 2019 |
Polyphenol capping on a gold nanosurface modulates human serum albumin fibrillation A Basu, S Kundu, A Das, C Basu, S Bhayye, S Das, A Mukherjee Materials Advances 1 (5), 1142-1150, 2020 | 8 | 2020 |
Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors S Chavan, S Bhayye, ME Sobhia Molecular diversity 15 (4), 979-987, 2011 | 8 | 2011 |
Development of energy-based pharmacophore model and stepwise virtual screening of LRRK2 inhibitors through molecular dynamics and mechanics S S Bhayye, K Roy, A Saha Letters in Drug Design & Discovery 13 (1), 24-32, 2016 | 4 | 2016 |
Target Prioritization of Novel Substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1Hbenzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)- triones As Anti-cancer Agents Using In-silico Approach Sagar S Bhayye, Goutam Brahmachari, Nayana Nayek, Sujata Roy, Kunal Roy Journal of Biomolecular Structure and Dynamics, 2019 | 2* | 2019 |
Anhydroparthenin as a dual-target inhibitor against Sterol C-24 methyltransferase and Sterol 14-α demethylase of Leishmania donovani: A comprehensive in vitro and in silico study D Kumari, P Kour, CP Singh, R Choudhary, SM Ali, S Bhayye, ... International Journal of Biological Macromolecules 269, 132034, 2024 | 1 | 2024 |
Bioassay-guided fractionations of Cannabis sativa extract and HPLC-assisted purifications of anti-proliferative active fractions lead to the isolation of 16 known and … Y Nalli, S Bharti, T Amin, R Singh, J Behera, SS Bhayye, YP Bharitkar, ... Medicinal Chemistry Research 33 (4), 635-650, 2024 | 1 | 2024 |
QSAR and QAAR Studies on Mixtures of 3-(Benzylidene) Indolin-2-One Isomers as Leads to Develop PET Radiotracers for Detection of Parkinson's Disease SS Bhayye, A Saha International Journal of Quantitative Structure-Property Relationships …, 2018 | 1 | 2018 |
Repurposing Peptidomimetic Drugs as Potential Inhibitors of Novel SARS-CoV-2 Main Protease Using Network Theory: A Protein-Ligand Binding Site Similarity Approach S Bhayye, N Sukumar | | 2022 |
Networking Protein-Ligand Binding Sites S Bhayye, N Sukumar Proceedings of International Conference on Drug Discovery (ICDD), 2020 | | 2020 |
Design and Development of Some Selective Enzyme Inhibitors for Parkinson’s and Alzheimer’s Diseases Based on Molecular Modeling and Dynamics Studies A Saha, S Bhayye, T Hossain ADVANCES IN STUDIES ON ENZYME INHIBITORS AS DRUGS, MISCELLANEOUS DRUGS 2, 51-89, 2017 | | 2017 |