In Silico Study: Prediction of bioavailabity, toxicity, and activity clitoria ternatea as an antidandruff

Studi In Silico Prediksi Bioavailabilitas, Toksisitas, dan Aktivitas Senyawa Bunga Telang Sebagai Antiketombe

Abstract

Dandruff is a disease caused by the fungus candida albicans. Dandruff, characterized by excessive scalp scaling, is grayish-white scattered on the hair, sometimes accompanied by itching. Dandruff affects about 50% of the world's population, with Indonesia ranking fourth in the prevalence of dandruff cases. Indonesia has a tropical climate that causes moisture, making it easier for the growth of Candida albicans fungus. One compound that can be utilized as an antifungal is telang flower. In this study, In silico method with molecular docking has been conducted. This study aims to explore the potential of bay flower kombucha as an anti-dandruff agent. The resulting compounds were further analyzed using in silico methods to predict bioavailability, toxicity, and antiketombe activity. The results of this study referring to the Journal of Functional Food the results of phytochemical screening of telang flowers by HPLC method showed that telang flowers contain active compounds such as gallic acid, kaempferol, delphinidin, epicatechin, myricetin, and quercetin which have high bioactivity potential. Bioavailability prediction revealed the result that delphinidin is the most favorable compound. Toxicity tests showed that most compounds had no significant toxic effects. Activity tests showed that some compounds had stronger binding to Candida albicans receptors compared to the drug ketoconazole. Overall, this study demonstrates the potential of bay flowers as a source of effective and safe anti-dandruff compounds.