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

Title	Molecular docking analysis of pyruvate kinase M2 with a potential inhibitor from the ZINC database
Authors	Pankaj Sharma^1,*, 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.