Phytochemical analysis, physicochemical, pharmacokinetic properties and molecular docking studies of bioactive compounds in <i>Ottelia alismoides</i> (L.) pers. Against breast cancer proteins.

ABSTRACT: Plants provide compounds that can be used to treat diseases, and in silico methods help to expedite drug discovery while reducing costs. This study explored the phytochemical profile of methanol extract of O. alismoides using GC-MS to identify potential bioactive compounds. Autodock 4.2.6. was employed for molecular docking evaluation of the efficacy of these identified compounds against Estrogen Receptor Alpha (ERα), Human Epidermal Growth Factor Receptor 2 (HER2), and Epidermal Growth Factor Receptor (EGFR), proteins. Additionally, the ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties of the compounds were predicted using the SwissADME online tool. The preliminary phytochemical analysis revealed the presence of alkaloids, carbohydrates, glycos

SUBMITTER: Muthukrishnan S 

PROVIDER: S-EPMC11162403 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature