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Title

Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database

Authors

Pankaj Sharma1,*, Manvender Singh1 & Sangeeta Sharma2

 

Affiliation

1Department of Biotechnology, UIET, Maharshi Dayanand University Rohtak Haryana; 2School of Life Sciences, IIMT University Meerut, India; *Corresponding author

 

Email

Pankaj Sharma Email: pank_lko456@rediffmail.com;

 

Article Type

Research Article

 

Date

Received October 20, 2020; Revised December 31, 2020; Accepted January 26, 2020, Published January 31, 2021

 

Abstract

The pyruvate kinase M2 isoform (PKM2) is linked with cancer. Therefore, it is of interest to document the molecular docking analysis of Pyruvate Kinase M2 (PDB ID: 4G1N) with potential activators from the ZINC database. Thus, we document the optimal molecular docking features of a compound having ID ZINC000034285235 with PKM2 for further consideration.

 

Keywords

Pyruvate Kinase M2; Cancer; MTiAutoDock; MTiOpenScreen; ADMET/Tox.

 

Citation

Sharma et al. Bioinformation 17(1): 139-146 (2021)

 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.