Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors-Reference-Cited by-同舟云学术

Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

Published:2023-02-06 Issue: Volume: Page:
ISSN:1381-1991
Container-title:Molecular Diversity
language:en
Short-container-title:Mol Divers

Author:

Devi Bharti,Vasishta Sumukh Satyanarayana,Das Bhanuranjan,Baidya Anurag T. K.,Rampa Rahul Salmon,Mahapatra Manoj Kumar,Kumar Rajnish^ORCID

Funder

Science and Engineering Research Board

Ministry of Education, India

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s11030-023-10608-8.pdf

Reference71 articles.

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2. Tonks NK (2013) Protein tyrosine phosphatases–from housekeeping enzymes to master regulators of signal transduction. FEBS J 280(2):346–378. https://doi.org/10.1111/febs.12077

3. Hendriks WJ, Elson A, Harroch S, Pulido R, Stoker A, den Hertog J (2013) Protein tyrosine phosphatases in health and disease. FEBS J 280(2):708–730. https://doi.org/10.1111/febs.12000

4. Alonso A, Sasin J, Bottini N, Friedberg I, Friedberg I, Osterman A et al (2004) Protein tyrosine phosphatases in the human genome. Cell 117(6):699–711. https://doi.org/10.1016/j.cell.2004.05.018

5. Barford D (1996) Molecular mechanisms of the protein serine/threonine phosphatases. Trends Biochem Sci 21(11):407–412. https://doi.org/10.1016/S0968-0004(96)10060-8

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