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Central Nervous System Agents in Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 1871-5249
ISSN (Online): 1875-6166

Conformationally Controlled Mechanistic Aspects of BACE 1 Inhibitors

Author(s): M. Sonker, A. Yadav

Volume 12, Issue 1, 2012

Page: [28 - 37] Pages: 10

DOI: 10.2174/187152412800229116

Price: $65

Abstract

This study highlights conformationally controlled mechanistic aspects of peptide inhibitors for BACE 1. Peptide inhibitors with reduced molecular weight tend to have cyclic conformation leading to reduced interactions with catalytic motif. Conformation plays a major role in determining potency of peptide inhibitors. An attempt has been made at designing lead compound with reduced molecular weight along with proper conformation suitable for active site and retention of specificity analogous to natural substrate. Reduced molecular weight should hopefully lead to enhanced bioavailability.

Keywords: BACE 1, inhibitors, low molecular weight, interaction energy, docking, aspartic dyad, Alzheimer's, catalytic aspartic


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