Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis

Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis

Azapeptides have gained much attention due to their ability to enhance the stability and bioavailability of peptide drugs. Their structural preferences, essential to understanding their function and potential application in the peptide drug design, remain largely unknown. In this work, we systematic...

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Bibliographic Details
Main Authors: Mouna El Khabchi, Mohammed Mcharfi, Mohammed Benzakour, Asmae Fitri, Adil Touimi Benjelloun, Jong-Won Song, Kang-Bong Lee, Ho-Jin Lee
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Molecules
Subjects:
azapeptides
conformational preferences
hydrogen bonds
cis-trans amide bond
β-turn
Asx turn
Online Access:https://www.mdpi.com/1420-3049/28/14/5454

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https://www.mdpi.com/1420-3049/28/14/5454

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