Bioorganic & medicinal chemistry

Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3′ site of renin

Y Wu, C Shi, X Sun, X Wu, H Sun

Index: Wu, Yong; Shi, Chen; Sun, Xiaowei; Wu, Xiaoming; Sun, Hongbin Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 14 p. 4238 - 4249

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Citation Number: 6

Abstract

Abstract Eighteen octane-carboxamide based renin inhibitors with extended segments for mimicking P3′ unit of angiotensinogen have been synthesized. The biological evaluation identified novel renin inhibitors with more potent activity than aliskiren. Molecular docking studies showed that the extended amide-tails matched the P3′ position of angiotensinogen and exerted interactions with the S3′ site of renin. An unexpected π–π stacking ...