Identification of PARP12 Inhibitors By Virtual Screening and Molecular Dynamics Simulations

Identification of PARP12 Inhibitors By Virtual Screening and Molecular Dynamics Simulations

Poly [adenosine diphosphate (ADP)-ribose] polymerases (PARPs) are members of a family of 17 enzymes that performs several fundamental cellular processes. Aberrant activity (mutation) in PARP12 has been linked to various diseases including inflammation, cardiovascular disease, and cancer. Herein, a l...

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Bibliographic Details
Main Authors: Tahani M. Almeleebia, Shahzaib Ahamad, Irfan Ahmad, Ahmad Alshehri, Ali G. Alkhathami, Mohammad Y. Alshahrani, Mohammed A. Asiri, Amir Saeed, Jamshaid Ahmad Siddiqui, Dharmendra K. Yadav, Mohd Saeed
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-08-01
Series:Frontiers in Pharmacology
Subjects:
PARP12
ZINC-FDA
virtual screening
MMGBSA
MD simulations
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2022.847499/full

Internet

https://www.frontiersin.org/articles/10.3389/fphar.2022.847499/full

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