Virtual Screening and Analysis of Bioactive Compounds of Momordica charantia against Diabetes using Computational Approaches Suganya Jeyabaskar*, Radha Mahendran, Manoharan Sharanya, Vinoba V, Francis Astral Department of Bioinformatics, School of Life Sciences, Vels University, Chennai-600117, Tamil Nadu, India *Corresponding Author E-mail: suganyaj11@gmail.com
Online published on 26 March, 2018. Abstract 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. Top Keywords Diabetes, Momordica charantia, Bioactive compounds, Screening, Molecular Docking. Top |