In-silico Molecular Docking Analysis of Phytochemical Profiling of Kokum (Garcinia Indica), an Overlooked Fruit of India

Abstract

In various regions worldwide, especially in South Asia, the traditional use of the Kokum plant, scientifically known as Garcinia indica, has been prevalent for a long time. Kokum is recognized for its unique phytochemical composition, which includes anthocyanins, hydroxycitric acid, xanthochymol, ascorbic acid, and garcinol. Due to its antibacterial, antioxidant, and anti-inflammatory properties, Kokum is considered a valuable option for numerous medical purposes. The traditional use of kokum suggests that it has been an effective remedy for various ailments, and further research on microbiological targets and their potential applications in modern medicine or food preservation. Asthma is a substantial global health problem with increasing prevalence rates in many countries. Asthma prevalence in India had previously been estimated to be around 3% (30 million patients out of 300 million), with prevalence rates between 4% and 20% in children and 2.4% in individuals over the age of 15. It is expected to rise in the upcoming decades and is one of the main causes of illness and death in rural India. The aim of this study was to identify putative bioactive chemicals present in the kokum fruit and investigate their interactions with the Asthma proteins by molecular docking modelling. Anthocyanin had a docking score of -8.27 kcal/mol for 3rze, -8.28 kcal/mol for 7f61, and -6.31 kcal/mol for 7fy6. The consequence of Lipinski rule recommends that anthocyanin is the best curative drug for asthma. Docking results verify the application of anthocyanin as a potential and natural therapeutic agent to treat diseases. Further laboratory tests are necessary to confirm these experimental results, though.