Targeting serotonin receptors with phytochemicals - an in-silico study.

ABSTRACT: The potential of natural phytochemicals in mitigating depression has been supported by substantial evidence. This study evaluated a total of 88 natural phytochemicals with potential antidepressant properties by targeting serotonin (5-HT) receptors (5-HT1A, 5-HT4, and 5-HT7) using molecular docking, ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) analysis, internal coordinates normal mode analysis (NMA), molecular dynamics simulation (MDS), and free energy calculation. Five evaluated compounds (Genistein, Kaempferol, Daidzein, Peonidin, and glycitein) exhibited favorable pharmacokinetic properties and improved binding scores, indicating their potential as effective antidepressants. Redocking and superimposition analysis of 5-HT with cocrystal structures validated these

SUBMITTER: Elalouf A 

PROVIDER: S-EPMC11621125 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature