IN-SILICO STUDY OF CASSIA TORA LINN IN THE TREATMENT OF GAUCHER DISEASE: A SCIENTIFIC ETHNOMEDICAL STUDY

Abstract

The field of pharmacognosy and herbal medicine has been growing steadily over the years due to the increasing number of studies on the side effects of modern medicines and the development of new drug lines. Plants possess therapeutic properties. Gaucher disease is a rare disorder caused by a defective GBA1 gene, which encodes the acid-β-glucosidase enzyme. The molecular docking technique revealed good binding efficiency of the selected bioactive compounds from Cassia tora (C. tora) against the acid-β-glucosidase enzyme that causes GD. A computational approach was used to analyze the ADMET profiles of various phytocompounds using admetsar, protox-ii, and swissadme software. ADMET analysis revealed that Obtusifolin-2-glucoside and Cassiaside had good Health Impact Assessment (HIA) and showed no toxic effects. Preventive measures for GD result in side effects that are inaccessible and result in the emergence of phytocompounds with fewer toxic effects. The obtusifolin-2-glucoside and Cassiaside of C. tora exhibited good docking scores of -7.2 and -7 kcal/mol, respectively, and could be further analyzed using molecular dynamics and in vitro studies.