| Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies M Rudrapal, WA Eltayeb, G Rakshit, AA El-Arabey, J Khan, SM Aldosari, ... Scientific reports 13 (1), 8656, 2023 | 33 | 2023 |
| Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19) G Rakshit, P Dagur, S Satpathy, A Patra, A Jain, M Ghosh Journal of Biomolecular Structure and Dynamics 40 (15), 6989-7001, 2022 | 21 | 2022 |
| Approaches for targeting the mycobactin biosynthesis pathway for novel anti-tubercular drug discovery: Where we stand M Shyam, D Shilkar, G Rakshit, V Jayaprakash Expert opinion on drug discovery 17 (7), 699-715, 2022 | 16 | 2022 |
| Tuberculosis and HIV responses threatened by nCOVID-19: A situation prompting an in silico investigation of reported MbtA inhibitors for combined inhibition of … G Rakshit, V Jayaprakash Structural Chemistry 34 (2), 655-679, 2023 | 7 | 2023 |
| Target prediction, computational identification, and network-based pharmacology of most potential phytoconstituent in medicinal leaves of Justicia adhatoda against SARS-CoV-2 P Dagur, G Rakshit, M Sheikh, A Biswas, P Jha, K Al-Khafaji, M Ghosh Journal of Biomolecular Structure and Dynamics 41 (9), 3926-3942, 2023 | 3 | 2023 |
| Molecular docking and molecular dynamics in natural products-based drug discovery G Rakshit, P Dagur, A Biswas, S Murtuja, V Jayaprakash Phytochemistry, computational tools and databases in drug discovery, 195-212, 2023 | 3 | 2023 |
| In Silico Drug Repurposing Studies for the Discovery of Novel Salicyl-AMP Ligase (MbtA) Inhibitors G Rakshit, A Biswas, V Jayaprakash Pathogens 12 (12), 1433, 2023 | 2 | 2023 |
| Virtual screening of phytochemicals for drug discovery P Dagur, G Rakshit, M Ghosh Phytochemistry, Computational Tools and Databases in Drug Discovery, 149-179, 2023 | 2 | 2023 |
| Structure-based drug design (SBDD) G Rakshit, S Murtuja, BK Kumar, S Murugesan, V Jayaprakash Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure …, 2022 | 2 | 2022 |
| Computational Simulations Reveal the Synergistic Action of Phytochemicals of Morus alba to Exert Anti-Alzheimer Activity via Inhibition of Acetylcholinesterase and … A Paul, JH Zothantluanga, G Rakshit, I Celik, M Rudrapal, MK Zaman Polycyclic Aromatic Compounds, 1-25, 2023 | 1 | 2023 |
| Design, Development, and In Silico Study of Pyrazoline-Based Mycobactin Analogs as Anti-Tubercular Agents G Rakshit, S Murtuja, V Jayaprakash Chemistry Proceedings 8 (1), 62, 2021 | 1 | 2021 |
| Synthesis of thiadiazole derivatives as competitive inhibitors of α-glucosidase and tyrosinase U Ghani, UA Çevik, M Rudrapal, G Rakshit, ZA Kaplancıklı Journal of Molecular Structure 1307, 138028, 2024 | | 2024 |
| Design, synthesis, biological and computational screening of novel pyridine-based thiadiazole derivatives as prospective anti-inflammatory agents N Podila, NK Penddinti, M Rudrapal, G Rakshit, SK Konidala, VS Pulusu, ... Heliyon, 2024 | | 2024 |
| Dietary Polyphenols: Review on Chemistry/Sources, Bioavailability/Metabolism, Antioxidant Effects, and Their Role in Disease Management M Rudrapal, G Rakshit, RP Singh, S Garse, J Khan, S Chakraborty Antioxidants 13 (4), 429, 2024 | | 2024 |
| New Benzimidazole-Triazole Derivatives as Topoisomerase I Inhibitors: Design, Synthesis, Anticancer Screening, and Molecular Modeling Studies UA Çevik, B Kaya, I Celik, M Rudrapal, G Rakshit, A Karayel, S Levent, ... ACS omega 9 (11), 13359-13372, 2024 | | 2024 |
| In Silico Drug Re-Purposing Studies for the Discovery of Novel MbtA Inhibitors G Rakshit, A Biswas, V Jayaprakash Preprints, 2023 | | 2023 |
| Multi-Omics Approaches in Drug Discovery G Rakshit, Komal, P Dagur, V Jayaprakash CADD and Informatics in Drug Discovery, 79-98, 2023 | | 2023 |
| Application of artificial intelligence and machine learning in natural products-based drug discovery A Biswas, I Ghosh, G Rakshit, S Murtuja, P Dagur, V Jayaprakash Phytochemistry, Computational Tools and Databases in Drug Discovery, 335-355, 2023 | | 2023 |
| Designing and In Silico Evaluation of Some Non-Nucleoside MbtA Inhibitors: On Track to Tackle Tuberculosis G Rakshit, V Jayaprakash Chemistry Proceedings 12 (1), 78, 2022 | | 2022 |
| Design and In Silico Evaluation of Some Non-Nucleoside MbtA Inhibitors (Pyrazoline Based Mycobactin Analogs) as Anti-Tubercular Agents: On Track to Tackle Tuberculosis G Rakshit, V Jayaprakash MDPI, 2022 | | 2022 |
