Identification of novel human renin inhibitors through a combined approach of pharmacophore modelling, molecular DFT analysis and in silico screening
Author:
Funder
DBT
Publisher
Elsevier BV
Subject
Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology
Reference51 articles.
1. In Silico Docking, Molecular Dynamics and Binding Energy Insights into the Bolinaquinone-Clathrin Terminal Domain Binding Site
2. 3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors
3. Inhibitors of human renin with C-termini derived from amides and esters of .alpha.-mercaptoalkanoic acids
4. Nonpeptide renin inhibitors employing a novel 3-aza (or oxa)-2,4-dialkyl glutaric acid moiety as a P2/P3 amide bond replacement
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