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丙酮酸激酶M2与锌数据库中一种潜在抑制剂的分子对接分析。

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

作者信息

Sharma Pankaj, Singh Manvender, Sharma Sangeeta

机构信息

Department of Biotechnology, UIET, Maharshi Dayanand University Rohtak Haryana, India.

School of Life Sciences, IIMT University Meerut,India.

出版信息

Bioinformation. 2021 Jan 31;17(1):139-146. doi: 10.6026/97320630017139. eCollection 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.

摘要

丙酮酸激酶M2亚型(PKM2)与癌症相关。因此,记录丙酮酸激酶M2(蛋白质数据银行ID:4G1N)与锌数据库中潜在激活剂的分子对接分析很有意义。因此,我们记录了ID为ZINC000034285235的化合物与PKM2的最佳分子对接特征,以供进一步研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d04d/8340708/eb4452029fd5/97320630017139F1.jpg

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