Virtual Screening and Analysis of Bioactive Compounds of Momordica charantia against Diabetes using Computational Approaches

Diabetes is one of the most serious metabolic disorders across the world which affects all age groups. World
Health Organization (WHO) ranked the top diabetic countries in which India was ranked among the top three
which diagnosed 62 million people. So there is an urgent need for the discovery of novel natural anti-diabetic
drugs without any side effects. On analyzing the anti-diabetic plants, Momordica charantia exhibited better
pharmacological properties and its bioactive compounds, which was found to possess good anti-diabetic activity
were selected through literature for in silico studies. There were 51 bioactive compounds found in Momordica
charantia, out of which only 13 compounds were carried out for the next step of analysis whose molecular
properties satisfies to be a new lead for drug molecules. Further literature studies on diabetes showed that the
enzyme glucokinase involved in the metabolic pathway for the production of energy were mostly responsible for
causing diabetes in humans. For docking analysis, Arguslab software was used for screening the binding affinity
between the inhibitors and target protein. The result of docking analysis revealed that compound nerolidol from
Momordica charantia exhibited best binding interaction with diabetic protein. The nerolidol compound predicted
from this research could be carried for in vivo analysis in future for the designing of novel potential drugs in the
treatment of diabetes.