Molecular Docking and in Silico Drug-Likeness Evaluation of Higenamine for its Potential Anticancer Effect

Abstract

The current research explores the anti-breast cancer effect of higenamine through in silico studies. Higenamine was docked with key protein targets like PTEN, SMO, RTK, CHK2, and TYK2, which are involved in various biological processes. The results revealed strong binding affinities with the targets suggesting effective modulation of these protein functions. Additionally, drug-likeness analysis via Swiss ADME confirmed that higenamine meets Lipinski, Ghose, Veber, Egan, and Muegge criteria, indicating favorable pharmacokinetic properties and potential for oral bioavailability. These findings underscore higenamine as a promising bioactive compound with a favorable pharmacological profile. Future research should focus on preclinical and clinical tests to assess its safety and efficacy as a therapeutic candidate.