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
Central Nervous System Agents in Medicinal Chemistry
Title:Conformationally Controlled Mechanistic Aspects of BACE 1 Inhibitors
Volume: 12 Issue: 1
Author(s): M. Sonker, A. Yadav
Affiliation:
Keywords: BACE 1, inhibitors, low molecular weight, interaction energy, docking, aspartic dyad, Alzheimer's, catalytic aspartic
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.
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Cite this article as:
M. Sonker, A. Yadav , Conformationally Controlled Mechanistic Aspects of BACE 1 Inhibitors, Central Nervous System Agents in Medicinal Chemistry 2012; 12 (1) . https://dx.doi.org/10.2174/187152412800229116
DOI https://dx.doi.org/10.2174/187152412800229116 |
Print ISSN 1871-5249 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6166 |
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