Zenherb labs Pvt. Ltd., Mumbai, developed a proprietary Arctostaphylous uva-ursi standardized extract (AUSE), (branded as UvaZen-VArb™). The current study is an attempt to get insights of the interaction of bioactives against target proteins involved in skin health pathways like melanogenesis.  A molecular docking approach was adopted to understand the protein-ligand interactions and predict the most probable mechanism(s) of beneficial skin health effects imparted by this cosmeceutical ingredient. Four phytoconstituents were docked against 15 shortlisted target proteins using Autodock Vina tool. Drug likeliness was assessed on the basis of ADMET properties and Lipinski’s Rule of 5. Arbutin, gallic acid, quercetin and rutin in AUSE demonstrated good docking scores and bioactivities for melanin regulation, cell growth, proliferation and differentiation-hair, skin and nail.

The bark of the tree Terminalia arjuna commonly referred as Arjuna is widely used in Ayurveda as a therapeutic agent for heart disease. More recently, a proprietary botanical extract of T. arjuna with tradename, Oxyjun®, demonstrated cardiotonic and ergogenic benefits for the first time in a younger and healthier population. However, the mechanism of action and biological actives of this novel sports ingredient were not clear. A molecular docking approach was adopted to understand the protein-ligand interactions and establish the most probable mechanism(s) of cardio vascular actions of the phytoconstituents of the T. arjuna standardized extract (TASE). Twenty-one phytochemicals (ligands) were chosen from Arjuna and their binding affinities against eight proteins serving cardiovascular functions (target proteins) were investigated. Autodock Vina was used to carry out the molecular docking studies. Potential efficacy in humans was assessed on the basis of ADMET properties and Lipinski’s Rule of 5. We found that arjunic acid, arjungenin, arjunetin, arjunglucoside1, chrysin, kaempferol, luteolin, rhamnetin and taxifolin demonstrated good docking scores and bioactivity.