Identification of novel selective MMP-9 inhibitors as potential anti-metastatic lead using structure-based hierarchical virtual screening and molecular dynamics simulation
Author:
Affiliation:
1. Department of Pharmacy
2. University of Kwazulu Natal
3. Durban
4. South Africa
5. Department of Bioinformatics
6. School of Bioengineering
7. SRM University
8. Kancheepuram
9. India
Abstract
In this study, a novel MMP-9 inhibitor was identified using structure-based pharmacophore modeling, cross docking, binding free energy and molecular dynamics simulation studies.
Publisher
Royal Society of Chemistry (RSC)
Subject
Molecular Biology,Biotechnology
Link
http://pubs.rsc.org/en/content/articlepdf/2016/MB/C6MB00066E
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