Binding mode prediction and identification of new lead compounds from natural products as renin and angiotensin converting enzyme inhibitors
N. S. Hari Narayana Moorthy, Natércia F. Brás, Maria J. Ramos, Pedro Alexandrino Fernandes · RSC Advances · 2014
In this study a novel renin and ACE inhibitor was developed from natural products using computational techniques. Molecular dynamic simulations showed that the new lead compound has significant binding to the targets.