Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies NH Hussen, AH Hasan, J Jamalis, S Shakya, S Chander, H Kharkwal, ... Computational Toxicology 24, 100247, 2022 | 30 | 2022 |
Design, synthesis and molecular modeling studies of few chalcone analogues of benzimidazole for epidermal growth factor receptor inhibitor in search of useful anticancer agent SS Chhajed, SS Sonawane, CD Upasani, SJ Kshirsagar, PP Gupta Computational biology and chemistry 61, 138-144, 2016 | 22 | 2016 |
Identification of Natural Compound Inhibitors against Peptide Deformylase Using Virtual Screening and Molecular Docking Techniques PP Gupta, B Sahu. Bull. Env. Pharmacol. Life Sci 4, 70-80, 2015 | 10 | 2015 |
In silico Comparative Molecular Docking Study and Analysis of Glycyrrhizin from Abrus precatorius (L.) against Antidiabetic Activity A Jain, PP Gupta European Journal of Medicinal Plants 6 (4), 212, 2015 | 10 | 2015 |
Identification and evaluation of quercetin as a potential inhibitor of naphthoate synthase from Enterococcus faecalis S Das, S Batra, PP Gupta, M Kumar, VK Srivastava, A Jyoti, N Singh, ... Journal of Molecular Recognition, e2802, 2019 | 9 | 2019 |
Quantitative structure–activity relationship-based computational approaches V Bastikar, A Bastikar, PP Gupta Computational Approaches for Novel Therapeutic and Diagnostic Designing to …, 2022 | 8 | 2022 |
Molecular modeling and structure-based drug discovery approach reveals protein kinases as off-targets for novel anticancer drug RH1 PP Gupta, VA Bastikar, D Kuciauskas, SL Kothari, J Cicenas, M Valius Medical Oncology 34 (10), 176, 2017 | 8 | 2017 |
Molecular docking, PKPD, and assessment of toxicity of few chalcone analogues as EGFR inhibitor in search of anticancer agents MB PurraBuchi, Reddy, R Madhusudhana, R Ramkrishna, C Santosh, ... Structural Chemistry, 2020 | 7 | 2020 |
Computer Aided Drug Design and Discovery – An Economical Approach to Drug Discovery Industry PP Gupta Austin Journal of Biotechnology & Bioengineering 1 (4), 2014 | 7 | 2014 |
De-novo design and synthesis of conformationally restricted thiazolidine-2, 4-dione analogues: highly selective PPAR-γ agonist in search of anti-diabetic agent SS Chhajed, PE Shinde, SJ Kshirsagar, JN Sangshetti, PKP Gupta, ... Structural Chemistry, 1-11, 2020 | 6 | 2020 |
Investigation of Enzymes Binding to “Voglibose- an Antidiabetic Drug” and the Choice of Enzyme to be Used for Biosensing S Kulkarni, PP Gupta, A Pallavi. British Journal of Pharmaceutical Research, ISSN: 2231-2919 14 (3), 1-10, 2017 | 6 | 2017 |
An emerging natural antioxidant therapy for COVID‐19 infection patients: Current and future directions AK Shrivastava, PK Sahu, T Cecchi, L Shrestha, SK Shah, A Gupta, ... Food Frontiers, 2023 | 5 | 2023 |
Screening and Identification of Structural Analogs of GW9662 and T0070907 Potent Antagonists of Peroxisome Proliferator-Activated Receptor Gamma: In-Silico Drug-Designing Approach PP Gupta, S Singh, PK Panda, DI Jasnaik, SS Chhajed, VA Bastikar. Journal of Proteomics & Bioinformatics 10 (3), 85-93, 2017 | 4 | 2017 |
COMPUTATIONAL MODELING AND ANALYSIS OF THEORETICAL STRUCTURE OF CORNEODESMOSIN RECEPTOR PROTEIN WITH EXISTING PHYTOCHEMICALS IN PSORIASIS PKP Danish Jasnaik, Pramodkumar P Gupta The Indian Journal of Fundamental and Applied Life Sciences 4 (4), 346-355., 2014 | 4 | 2014 |
Introduction to Computational and Bioinformatics Tools in Virology PP Gupta, Y Kasmi, Č Podlipnik Emerging and Reemerging Viral Pathogens, 121-145, 2020 | 3 | 2020 |
Biological Systems and Pathway Modeling Approaches PKP Gupta Austin Journal of Biotechnology and Bioengineering 5 (3), 1099, 2018 | 3 | 2018 |
Profiling of Antibacterial Compounds from Selective Medicinal Mangrove Species MR Doifode, AS Hosamani, D Dasgupta, P Boruah, M Parab, PP Gupta Medical Sciences Forum, 2023 | 2 | 2023 |
Binding of metronidazole to Enterococcus faecalis homoserine kinase: Binding studies, docking studies, and molecular dynamics simulation studies H Singh, S Das, PP Gupta, S Batra, R Prakash, VK Srivastava, A Jyoti, ... Pharmacognosy Magazine 1 (5), 553-560, 2020 | 2 | 2020 |
Computational Screening Techniques for Lead Design and Development PP Gupta, VA Bastikar, A Bastikar, SS Chhajed, P Pathade Computer-Aided Drug Design, 187-222, 2020 | 2 | 2020 |
Chemical Structure Databases in Drug Discovery PP Gupta, VA Bastikar, SS Chhajed Computer Applications in Drug Discovery and Development, 47-61, 2019 | 2 | 2019 |