Virtual Screening of Natural Compounds as Potential PI<sub>3</sub>K-AKT1 Signaling Pathway Inhibitors and Experimental Validation

Virtual Screening of Natural Compounds as Potential PI<sub>3</sub>K-AKT1 Signaling Pathway Inhibitors and Experimental Validation

A computational screening for natural compounds suitable to bind the AKT protein has been performed after the generation of a pharmacophore model based on the experimental structure of AKT1 complexed with IQO, a well-known inhibitor. The compounds resulted as being most suitable from the screening h...

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Bibliographic Details
Main Authors:	Serena Dotolo, Carmen Cervellera, Maria Russo, Gian Luigi Russo, Angelo Facchiano
Format:	Article
Language:	English
Published:	MDPI AG 2021-01-01
Series:	Molecules
Subjects:	AKT1 pharmacophore model virtual screening molecular docking ADMET analysis kinase inhibitors
Online Access:	https://www.mdpi.com/1420-3049/26/2/492

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