Possible Potential Features of Phytoestrogens of Ambones Banana Blossom (Musa Acuminata Colla) as Nutraceuticals for Menopausal Vaginal Elasticity: An In Silico Study

Abstract

Menopause is the period when the reproductive system stops producing estrogen and progesterone. This condition can cause various  changes, including vaginal atrophy. Structural changes can occur because cytoskeletal proteins (actin) and junction cells (claudin-1) that  regulate permeability undergo changes that cause thinning of the epithelium in the vagina which will lead to reduced vaginal elasticity.  This study aimed to predict the activity of anthocyanin and genistein compounds with claudin-1 and Actin receptors in silico. This  research was conducted using Autodock Vina software supported by the Vega ZZ, Pymol, and BIOVIA Discovery Studio programs to  create visual profiles of Claudin-1 and Actin ligand proteins used as comparisons with Anthocyanin and Genistein test compounds, as well  as pharmacokinetic predictions using pkCSM. The results of the post-docking analysis in the form of binding affinity for amino acid interactions and pharmacokinetics using anthocyanin and genistein compounds showed the largest binding affinity for Anthocyanin  compounds with a Gbinding score of -6.81 kcal / mol (72.60%) close to estrogen’s Gbinding score of -9.33 kcal/mol. The RMSD value of  claudin-1 was 1.43 Å. This means that the claudin-1 protein has the right interaction between the original ligand and the test ligand. The  results of the study have the potential to recommend nutraceuticals for drug discovery using natural ingredients containing anthocyanin  and genistein compounds which can overcome complaints of vaginal elasticity in menopause. Further research can be done in vitro and    in vivo to investigate these compounds clinically.