Abstract

IN-SILICO STUDY OF PASSIFLORA EDULIS FOR ITS ANTI-DIABETIC ACTIVITY

Simran P. Shedame*, Yogesh N. Gholse, Rahul H. Kasliwal, Dinesh R. Chaple

ABSTRACT

Today, diabetes is recognized as a prevalent and major disease condition worldwide. According to recent WHO studies, approximately 422 million people globally suffer from diabetes, with the majority residing in low- and middle-income countries, and diabetes directly causes 1.5 million deaths annually. The use of computational techniques in the drug discovery and development process is increasingly being implemented and appreciated. Terms such as computer-aided drug design (CADD) are commonly applied in this area. In-silico virtual screening, or high-throughput virtual screening (HTVS), has emerged as an excellent complement to the time-consuming and expensive experimental techniques of high-throughput screening. Diabetes mellitus is a group of diseases that influence how the body utilizes blood sugar. This type of diabetes predominantly affects middle-aged or older individuals and was previously referred to as adult-onset diabetes or diabetes mellitus. However, type 2 diabetes also affects children and teenagers, primarily due to childhood obesity. Passiflora edulis, commonly known as passion fruit, contains numerous chemical constituents with anti-diabetic properties. A study was conducted to employ in-silico methods for the discovery of potential anti-diabetic constituents derived from the hypoglycemic properties of P. edulis. Tools such as Chemsketch, Avogadro, Discovery Studio Biovia, and Pyrx were utilized. Furthermore, molecular docking, drug likeness testing, ADME, and toxicity studies were conducted using Swiss ADME, Protox2, and Autodockvina programs. Visualization of 2D interactions was also carried out using Discovery Studio Biovia software.

Keywords: Diabetes, Passiflora edulis, In-Silico study, Homology modelling, molecular docking.