Discovery of novel PARP-1 inhibitors using tandem in silico studies: integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approach
Author:
Affiliation:
1. Department of Pharmacy, School of Chemical Sciences and Pharmacy, Central University of Rajasthan, Ajmer, India
2. Bhupal Nobles’ College of Pharmacy, Bhupal Nobles’ University, Udaipur, India
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2214223
Reference36 articles.
1. Combination of ligand and structure based virtual screening approaches for the discovery of potential PARP1 inhibitors
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5. PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain
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