| Mutations in SARS-CoV-2 viral RNA identified in Eastern India: Possible implications for the ongoing outbreak in India and impact on viral structure and host susceptibility A Maitra, MC Sarkar, H Raheja, NK Biswas, S Chakraborti, AK Singh, ... Journal of Biosciences 45, 1-18, 2020 | 124 | 2020 |
| Increasing the bioactive space of peptide macrocycles by thioamide substitution H Verma, B Khatri, S Chakraborti, J Chatterjee Chemical Science 9 (9), 2443-2451, 2018 | 60 | 2018 |
| Repurposing drugs against the main protease of SARS-CoV-2: mechanism-based insights supported by available laboratory and clinical data S Chakraborti, S Bheemireddy, N Srinivasan Molecular Omics, 2020 | 39 | 2020 |
| NU-6027 inhibits growth of Mycobacterium tuberculosis by targeting protein kinase D and protein kinase G S Kidwai, R Bouzeyen, S Chakraborti, N Khare, S Das, T Priya Gosain, ... Antimicrobial agents and chemotherapy 63 (9), 10.1128/aac. 00996-19, 2019 | 30 | 2019 |
| Identification of potential binders of Mtb Universal Stress Protein (Rv1636) through an in silico approach and insights into compound selection for experimental validation S Chakraborti, M Chakraborty, A Bose, N Srinivasan, SS Visweswariah Frontiers in Molecular Biosciences 8, 177, 2021 | 14 | 2021 |
| Drug repurposing approach targeted against main protease of sars-cov-2 exploiting ‘neighbourhood behaviour’in 3d protein structural space and 2d chemical space of small molecules S Chakraborti, N Srinivasan | 10 | 2020 |
| Repurposing drugs based on evolutionary relationships between targets of approved drugs and proteins of interest S Chakraborti, G Ramakrishnan, N Srinivasan Computational Methods for Drug Repurposing, 45-59, 2019 | 10 | 2019 |
| Desolvation of peptide bond by O to S substitution impacts protein stability B Khatri, S Raghunathan, S Chakraborti, R Rahisuddin, S Kumaran, ... Angewandte Chemie International Edition 60 (47), 24870-24874, 2021 | 9 | 2021 |
| An amide to thioamide substitution improves the permeability and bioavailability of macrocyclic peptides P Ghosh, N Raj, H Verma, M Patel, S Chakraborti, B Khatri, ... Nature communications 14 (1), 6050, 2023 | 8 | 2023 |
| A ligand-centric approach to identify potential drugs for repurposing: Case-study with Aurora Kinase inhibitors S Chakraborti, PS Chakravarthi, N Srinivasan Drug Repurposing in Cancer Therapy: Approaches and Applications, 15, 2020 | 8 | 2020 |
| In silico modeling of FDA-approved drugs for discovery of anticandida agents: A drug-repurposing approach S Chakraborti, G Ramakrishnan, N Srinivasan In silico drug design, 463-526, 2019 | 8 | 2019 |
| 'All That Glitters Is Not Gold': High-Resolution Crystal Structures of Ligand-Protein Complexes Need Not Always Represent Confident Binding Poses S Chakraborti, K Hatti, N Srinivasan International Journal of Molecular Sciences 22 (13), 6830, 2021 | 7 | 2021 |
| NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing. SC TJ Narwani, N Srinivasan Scientific Reports 11, 13540, 2021 | 5 | 2021 |
| Protein Structure, Dynamics and Assembly: Implications for Drug Discovery A Yazhini, S Chakraborti, N Srinivasan Innovations and Implementations of Computer Aided Drug Discovery Strategies …, 2021 | 2 | 2021 |
| SBDD and Its Challenges S Chakraborti, S Sachchidanand Current Trends in Computational Modeling for Drug Discovery, 1-24, 2023 | 1 | 2023 |
| Computational Methods and Tools for Repurposing of Drugs Against Coronaviruses S Chakraborti, S Bheemireddy, N Srinivasan In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and …, 2021 | 1 | 2021 |
| Protein-small molecule interactions: Structural insights and applications in computational drug discovery S Chakraborti | | 2021 |
N. SrinivasanProfessor, Molecular Biophysics Unit, Indian Institute of ScienceVerified email at iisc.ac.in
