A Scientific Ethnomedical Study Using Microbes on Gaucher Disease: An In-Silico Analysis

Abstract

Gaucher disease (GD) is an inherited metabolic disorder caused by the deficiency of enzyme acid β-Glucosidase resulting in the deposition of harmful quantities of lipids/fats. To date, enzyme replacement therapy (ERT) and substrate reduction therapy (SRT) are the only modes of treatment approved by the FDA for Gaucher disease. In this study, we evaluated the ability of microbial bioactive compounds as a drug candidate. The treatment based on molecular docking against selected protein targets plays a crucial role in the future treatment of this disease. Microbial compounds contain bioactive compounds in the form of alkaloids and others of natural origin. Through molecular docking the deep binding affinity of 10 selected compounds present in algae, bacteria, and fungi against the enzyme acid β-Glucosidase of GD using Maestro Schrodinger software, in addition, the ADMET properties are also predicted. Out of these compounds, Lipoxazolidinone C, Cinnamic acid, and Marinopyrrole A, have a sturdy interaction with the Gaucher disease target enzyme, and it can be considered as an effective drug target for Gaucher disease. Our findings reveal a novel discovery towards biology mainly pointing to microbes as a drug formulation. Further, these compounds could be analyzed for their stability through molecular dynamics techniques.