In-silico studies of 2-aminothiazole derivatives as anticancer agents by QSAR, molecular docking, MD simulation and MM-GBSA approaches-Reference-Cited by-同舟云学术

In-silico studies of 2-aminothiazole derivatives as anticancer agents by QSAR, molecular docking, MD simulation and MM-GBSA approaches

Published:2023-10-09 Issue: Volume: Page:1-19
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Chitre Trupti S.¹,Hirode Purvaj V.¹,Lokwani Deepak K.²,Bhatambrekar Aniket L.¹,Hajare Sayli G.¹,Thorat Shubhangi B.¹,Priya D.³,Pradhan Kunal B.¹,Asgaonkar Kalyani D.¹,Jain Shirish P.²

Affiliation:

1. Department of Pharmaceutical Chemistry, AISSMS College of Pharmacy, Pune, Maharashtra, India

2. Rajarshi Shahu College of Pharmacy, Buldhana, Maharashtra, India

3. Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRMIST, Kattankulathur, Tamilnadu, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2262594

Reference48 articles.

1. Comparative Docking Studies: A Drug Design Tool for Some Pyrazine- Thiazolidinone Based Derivatives for Anti-HIV Activity

2. The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors

3. QSAR, docking studies of 1,3-thiazinan-3-yl isonicotinamide derivatives for antitubercular activity

4. In silico Studies, Synthesis and Antitubercular Activity of Some Novel Quinoline - Azitidinone Derivatives

5. Pharmacophore Optimization and Design of Competitive Inhibitors of Thymidine Monophosphate Kinase Through Molecular Modeling Studies

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