Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

Bioactive peptides are chemical compounds created through the covalent bonding of amino acids, known as amide or peptide bonds. Due to their unusual chemistry and various biological effects, marine bioactive peptides have garnered considerable research. The effectiveness of a bioactive marine peptid...

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Bibliographic Details
Main Authors:	Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Format:	Article
Language:	English
Published:	MDPI AG 2022-04-01
Series:	Pharmaceuticals
Subjects:	apratoxins chemical reactivity theory conceptual DFT global and local reactivity descriptors pKa bioavailability
Online Access:	https://www.mdpi.com/1424-8247/15/5/509

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