Defining the Potential Targets for Biological Activity of Isoegomaketone Based on Network Pharmacology and Molecular Docking Methods.

ABSTRACT: Isoegomaketone is a water-soluble natural ketone compound that is commonly present in Rabdosia angustifolia and Perilla frutescens. At present, it is known that isoegomaketone has a wide range of pharmacological activity, but there has been no thorough investigation of its potential targets. As a result, we examined the potential targets of isoegomaketone using the network pharmacology approach. In our study, the TCM Database@Taiwan was utilized to search for the chemical formula. The pharmacological characteristics of isoegomaketone were then evaluated in silico using the Swiss Absorption, Distribution, Metabolism, and Excretion (Swiss ADME) and Deep Learning-Acute Oral Toxicity (DL-AOT) methods, and the potential isoegomaketone target genes were identified using a literatur

SUBMITTER: Zhang J 

PROVIDER: S-EPMC9788221 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature