Gangopadhyay A - Search Results

1

Targeting the dengue β-OG with serotype-specific alkaloid virtual leads.

Gangopadhyay A, Chakraborty HJ, Datta A. Gangopadhyay A, et al. J Mol Graph Model. 2017 May;73:129-142. doi: 10.1016/j.jmgm.2017.02.018. Epub 2017 Mar 1. J Mol Graph Model. 2017. PMID: 28279821

2

Identification of inhibitors against the potential ligandable sites in the active cholera toxin.

Gangopadhyay A, Datta A. Gangopadhyay A, et al. Comput Biol Chem. 2015 Apr;55:37-48. doi: 10.1016/j.compbiolchem.2015.02.011. Epub 2015 Feb 7. Comput Biol Chem. 2015. PMID: 25698576

3

Prediction and characterisation of lantibiotic structures with molecular modelling and molecular dynamics simulations.

Chakraborty HJ, Gangopadhyay A, Datta A. Chakraborty HJ, et al. Among authors: gangopadhyay a. Sci Rep. 2019 May 9;9(1):7169. doi: 10.1038/s41598-019-42963-8. Sci Rep. 2019. PMID: 31073133 Free PMC article.

4

Employing virtual screening and molecular dynamics simulations for identifying hits against the active cholera toxin.

Gangopadhyay A, Chakraborty HJ, Datta A. Gangopadhyay A, et al. Toxicon. 2019 Dec;170:1-9. doi: 10.1016/j.toxicon.2019.09.005. Epub 2019 Sep 5. Toxicon. 2019. PMID: 31494206

5

Metagenomic study focusing on antibiotic resistance genes from the sediments of River Yamuna.

Das BK, Behera BK, Chakraborty HJ, Paria P, Gangopadhyay A, Rout AK, Nayak KK, Parida PK, Rai A. Das BK, et al. Among authors: gangopadhyay a. Gene. 2020 Oct 20;758:144951. doi: 10.1016/j.gene.2020.144951. Epub 2020 Jul 16. Gene. 2020. PMID: 32683080

6

Drug repurposing against the RNA-dependent RNA polymerase domain of dengue serotype 3 by virtual screening and molecular dynamics simulations.

Gangopadhyay A, Saha A. Gangopadhyay A, et al. J Biomol Struct Dyn. 2023 Jul;41(11):5152-5165. doi: 10.1080/07391102.2022.2080764. Epub 2022 May 31. J Biomol Struct Dyn. 2023. PMID: 35642087

7

Search for potentially biased epidermal growth factor receptor (EGFR) inhibitors through pharmacophore modelling, molecular docking, and molecular dynamics (MD) simulation approaches.

Jethwa M, Gangopadhyay A, Saha A. Jethwa M, et al. Among authors: gangopadhyay a. J Biomol Struct Dyn. 2023 Mar;41(5):1681-1689. doi: 10.1080/07391102.2021.2023644. Epub 2022 Jan 11. J Biomol Struct Dyn. 2023. PMID: 35014597

8

Ab initio modelling of an essential mammalian protein: Transcription Termination Factor 1 (TTF1).

Tiwari K, Gangopadhyay A, Singh G, Singh VK, Singh SK. Tiwari K, et al. Among authors: gangopadhyay a. J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6581-6590. doi: 10.1080/07391102.2022.2109754. Epub 2022 Aug 10. J Biomol Struct Dyn. 2023. PMID: 35947129

9

Exploring allosteric hits of the NS2B-NS3 protease of DENV2 by structure-guided screening.

Gangopadhyay A, Saha A. Gangopadhyay A, et al. Comput Biol Chem. 2023 Jun;104:107876. doi: 10.1016/j.compbiolchem.2023.107876. Epub 2023 Apr 29. Comput Biol Chem. 2023. PMID: 37141792

10

Shedding Light on Protein Aggregates by Bisindolyl-Based Fluorogenic Probes: Unveiling Mechanistic Pathways and Real-Time Tracking of Protein Aggregation.

Fernandes RS, Gangopadhyay A, Dey N. Fernandes RS, et al. Among authors: gangopadhyay a. Biomacromolecules. 2025 Mar 10;26(3):1461-1475. doi: 10.1021/acs.biomac.4c00813. Epub 2025 Feb 6. Biomacromolecules. 2025. PMID: 39912322

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