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Chinmayee Choudhury

Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods
2022 · Chinmayee Choudhury, N. Arul Murugan, et al. · Drug Discovery Today · 139
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Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease
2020 · Chinmayee Choudhury · Journal of Biomolecular Structure and Dynamics · 51
Dynamics Based Pharmacophore Models for Screening Potential Inhibitors of Mycobacterial Cyclopropane Synthase
2015 · Chinmayee Choudhury, U. Deva Priyakumar, et al. · Journal of Chemical Information and Modeling · 51
Pharmacophore Modelling and Screening: Concepts, Recent Developments and Applications in Rational Drug Design
2019 · Chinmayee Choudhury, G. Narahari Sastry · Challenges and advances in computational chemistry and physics · 39
Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis $$(\mathbf{MPDS}^{\mathbf{TB}})$$ ( MPDS TB )
2017 · Anamika Singh Gaur, Anshu Bhardwaj, et al. · Journal of Chemical Sciences · 23
Virtual repurposing of ursodeoxycholate and chenodeoxycholate as lead candidates against SARS-Cov2-Envelope protein: A molecular dynamics investigation
2020 · Reena Yadav, Chinmayee Choudhury, et al. · Journal of Biomolecular Structure and Dynamics · 21
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Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation process
2014 · Chinmayee Choudhury, U. Deva Priyakumar, et al. · Journal of Structural Biology · 21
The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors
2012 · Hemant Kumar Srivastava, Chinmayee Choudhury, et al. · Medicinal Chemistry · 21
Dynamic ligand-based pharmacophore modeling and virtual screening to identify mycobacterial cyclopropane synthase inhibitors
2016 · CHINMAYEE CHOUDHURY, U DEVA PRIYAKUMAR, et al. · Journal of Chemical Sciences · 18
Molecular chaperone function of stress inducible Hsp70 is critical for intracellular multiplication of Toxoplasma gondii
2020 · Pallabi Mitra, Abhijit S. Deshmukh, et al. · Biochimica et Biophysica Acta (BBA) - Molecular Cell Research · 17
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Structural and Functional Diversities of the Hexadecahydro‐1H‐cyclopenta[a]phenanthrene Framework, a Ubiquitous Scaffold in Steroidal Hormones
2016 · Chinmayee Choudhury, U. Deva Priyakumar, et al. · Molecular Informatics · 13
Virtual screening of gut microbiome bacteriocins as potential inhibitors of stearoyl-CoA desaturase 1 to regulate adipocyte differentiation and thermogenesis to combat obesity
2023 · Rekha Kumari, Nirjara Singhvi, et al. · Journal of Biomolecular Structure and Dynamics · 11
Hybrid Dynamic Pharmacophore Models as Effective Tools to Identify Novel Chemotypes for Anti-TB Inhibitor Design: A Case Study With Mtb-DapB
2020 · Chinmayee Choudhury, Anshu Bhardwaj · Frontiers in Chemistry · 11
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A facile and single pot strategy for the synthesis of novel naphthyridine derivatives under microwave irradiation conditions using ZnCl2 as catalyst, evaluation of AChE inhibitory activity, and molecular modeling studies
2011 · C. Kurumurthy, P. Sambasiva Rao, et al. · Medicinal Chemistry Research · 11
Study of MicroRNA (miR-221-3p, miR-133a-3p, and miR-9-5p) Expressions in Oral Submucous Fibrosis and Squamous Cell Carcinoma
2022 · Shweta Ukey, Ankit Jain, et al. · Indian Journal of Clinical Biochemistry · 8
A functionally divergent transcription elongation factor 1‐like protein in Toxoplasma gondii
2021 · Pallabi Mitra, Abhijit S. Deshmukh, et al. · FEBS Letters · 8
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Aspirin as a potential drug repurposing candidate targeting estrogen receptor alpha in breast cancer: a molecular dynamics and in-vitro study
2024 · Deepinder Kaur, Chinmayee Choudhury, et al. · Journal of Biomolecular Structure and Dynamics · 7
Glucose 6‐phosphate dehydrogenase variants increase NADPH pools for yeast isoprenoid production
2023 · Sri Harsha Adusumilli, Anuthariq Alikkam Veetil, et al. · FEBS Open Bio · 7
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smProdrugs: A repository of small molecule prodrugs
2023 · Chinmayee Choudhury, Vivek Kumar, et al. · European Journal of Medicinal Chemistry · 7
Design and Synthesis of Benzimidazole-4-carboxamides as Potent Poly(ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors
2018 · Kalam B. Reddy, Gangula M. Rao, et al. · Current Bioactive Compounds · 7
The ChaC1 active site: Defining the residues and determining the role of ChaC1 ‐exclusive residues in the structural and functional stability
2022 · Shradha Suyal, Chinmayee Choudhury, et al. · Proteins Structure Function and Bioinformatics · 6
Alpha-1-antitrypsin in serum exosomes and pericardial fluid exosomes is associated with severity of rheumatic heart disease
2022 · Shruti Sharma, Subendu Sarkar, et al. · Molecular and Cellular Biochemistry · 6
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Nitrile stabilized synthesis of pyrrolidine and piperidine derivatives via tandem alkynyl aza-Prins–Ritter reactions
2023 · Sudip Shit, Chinmayee Choudhury, et al. · Organic & Biomolecular Chemistry · 5
Identification of unique subtype-specific interaction features in Class II zinc-dependent HDAC subtype binding pockets: A computational study
2021 · Shweta Ukey, Chinmayee Choudhury, et al. · Journal of Biosciences · 4
Virtual Repurposing of Ursodeoxycholate and Chenodeoxycholate as Lead Candidates Against SARS-Cov2-Envelope Protein: A Molecular Dynamics Investigation
2020 · Reena Yadav, chinmayee choudhury, et al. · ChemRxiv · 4
Works count: 45
Citation count: 539
H-index: 11
I10-index: 14
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