In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

This research presents the outcomes of a computational determination of the chemical reactivity and bioactivity properties of two plant cyclopeptides isolated from Rosaceae through the consideration of Computational Peptidology (CP), a protocol employed previously in the research of similar molecula...

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Bibliographic Details
Main Authors: Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-08-01
Series:Frontiers in Chemistry
Subjects:
plant cyclopeptides
pharmacokinetics
ADMET
conceptual density functional theory
Koopmans in density functional theory
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2021.708364/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2021.708364/full

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