Discovery of Octahydroisoindolone as a Scaffold for the Selective Inhibition of Chitinase B1 from <i>Aspergillus fumigatus</i>: In Silico Drug Design Studies

Discovery of Octahydroisoindolone as a Scaffold for the Selective Inhibition of Chitinase B1 from <i>Aspergillus fumigatus</i>: In Silico Drug Design Studies

Chitinases represent an alternative therapeutic target for opportunistic invasive mycosis since they are necessary for fungal cell wall remodeling. This study presents the design of new chitinase inhibitors from a known hydrolysis intermediate. Firstly, a bioinformatic analysis of <i>Aspergill...

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Bibliographic Details
Main Authors: Alberto Marbán-González, Armando Hernández-Mendoza, Mario Ordóñez, Rodrigo Said Razo-Hernández, José Luis Viveros-Ceballos
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Molecules
Subjects:
bioinformatic analysis
chitinase AfChiB1
molecular docking
molecular similarity
oxazolinium ion
Online Access:https://www.mdpi.com/1420-3049/26/24/7606

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