Fluorinated Benzoxazinones Designed via MIA-QSAR, Docking, and Molecular Dynamics as Protoporphyrinogen IX Oxidase Inhibitors.

Adriana C de FariaFrancisco A MartinsElaine F F da CunhaMatheus P DE Freitas

Published in: Journal of the science of food and agriculture (2024)

Two new proposed benzoxazinones exhibited better performance than compounds of the data set, and fluorine substituents played pivotal roles in describing the biological activities. This article is protected by copyright. All rights reserved.

Keyphrases

molecular dynamics
density functional theory
electronic health record
positron emission tomography
big data
pet imaging
computed tomography
data analysis
pet ct