Structure-based drug repurposing: traditional and advanced AI/ML-aided methods UDP ChinmayeeChoudhury, N.Arul Murugan
Drug Discovery Today, https://doi.org/10.1016/j.drudis.2022.03, 2022
73 * 2022 Dynamics based pharmacophore models for screening potential inhibitors of mycobacterial cyclopropane synthase C Choudhury, UD Priyakumar, GN Sastry
Journal of chemical information and modeling 55 (4), 848-860, 2015
54 2015 Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease C Choudhury
Journal of Biomolecular Structure and Dynamics 39 (10), 3733-3746, 2021
49 2021 Pharmacophore modelling and screening: concepts, recent developments and applications in rational drug design C Choudhury, G Narahari Sastry
Structural bioinformatics: applications in preclinical drug discovery …, 2019
29 2019 The efficacy of conceptual DFT descriptors and docking scores on the QSAR models of HIV protease inhibitors H Kumar Srivastava, C Choudhury, G Narahari Sastry
Medicinal Chemistry 8 (5), 811-825, 2012
25 2012 Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis AS Gaur, A Bhardwaj, A Sharma, L John, MR Vivek, N Tripathi, ...
Journal of Chemical Sciences 129, 515-531, 2017
21 2017 Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead candidates against SARS-Cov2-Envelope protein: A molecular dynamics investigation R Yadav, C Choudhury, Y Kumar, A Bhatia
Journal of Biomolecular Structure and Dynamics 40 (11), 5147-5158, 2022
18 2022 Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation process C Choudhury, UD Priyakumar, GN Sastry
Journal of structural biology 187 (1), 38-48, 2014
17 2014 Molecular chaperone function of stress inducible Hsp70 is critical for intracellular multiplication of Toxoplasma gondii P Mitra, AS Deshmukh, C Choudhury
Biochimica et Biophysica Acta (BBA)-Molecular Cell Research 1868 (2), 118898, 2021
16 2021 Dynamic ligand-based pharmacophore modeling and virtual screening to identify mycobacterial cyclopropane synthase inhibitors C Choudhury, UD Priyakumar, GN Sastry
Journal of Chemical Sciences 128, 719-732, 2016
15 2016 Structural bioinformatics: applications in preclinical drug discovery process CG Mohan
Springer, 2019
13 2019 A facile and single pot strategy for the synthesis of novel naphthyridine derivatives under microwave irradiation conditions using ZnCl2 as catalyst, evaluation of … C Kurumurthy, P Sambasiva Rao, B Veeraswamy, G Santhosh Kumar, ...
Medicinal Chemistry Research 21, 1785-1795, 2012
12 2012 Hybrid Dynamic Pharmacophore Models as Effective Tools to Identify Novel Chemotypes for Anti-TB Inhibitor Design: A Case Study With Mtb-DapB C Choudhury, A Bhardwaj
Frontiers in Chemistry 8 (10.3389/fchem.2020.596412), 1111, 2020
9 * 2020 Structural and Functional Diversities of the Hexadecahydro‐1H‐cyclopenta [a] phenanthrene Framework, a Ubiquitous Scaffold in Steroidal Hormones C Choudhury, U Deva Priyakumar, G Narahari Sastry
Molecular Informatics 35 (3‐4), 145-157, 2016
9 2016 Design and synthesis of benzimidazole-4-carboxamides as potent poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors KB Reddy, GM Rao, BV Kumar, C Choudhury, KS Rajan
Current Bioactive Compounds 14 (2), 100-111, 2018
6 2018 Molecular modeling P Badrinarayan, C Choudhury, GN Sastry
Systems and Synthetic Biology, 93-128, 2015
6 2015 Virtual screening of gut microbiome bacteriocins as potential inhibitors of stearoyl-CoA desaturase 1 to regulate adipocyte differentiation and thermogenesis to combat obesity R Kumari, N Singhvi, P Sharma, C Choudhury, R Shakya
Journal of Biomolecular Structure and Dynamics 41 (22), 12632-12642, 2023
5 2023 The ChaC1 active site: Defining the residues and determining the role of ChaC1‐exclusive residues in the structural and functional stability S Suyal, C Choudhury, AK Bachhawat
Proteins: Structure, Function, and Bioinformatics 91 (4), 567-580, 2023
5 2023 Differential Expression of Zinc-Dependent HDAC Subtypes and their Involvement in Unique Pathways Associated with Carcinogenesis SP Ukey S, Ramteke A, Choudhury C, Purohit P
Asian Pac J Cancer Prev. 23 (3), 877-883 (10.31557/APJCP.2022.23.3.877), 2022
5 * 2022 Study of MicroRNA (miR-221-3p, miR-133a-3p, and miR-9-5p) expressions in oral submucous fibrosis and squamous cell carcinoma S Ukey, A Jain, S Dwivedi, C Choudhury, JR Vishnoi, A Chugh, P Purohit, ...
Indian Journal of Clinical Biochemistry 38 (1), 73-82, 2023
4 2023 
G. Narahari SastryIndian Institute of Technology HyderabadBestätigte E-Mail-Adresse bei neist.res.in