3D-comparative modelling, structure comparison & docking studies for AVPR2 protein with some anti-diabetic plant compounds from North East India.
Robin Das, Dhrubajyoti Gogoi, Soyonlal Bhoumick, Surovi Saikia, Bezbaruah R. L., Bora T. C., Kishore Sarma, Mousumi Sahu, Madhumita Barooah
Author Affiliation: Bioinformatics Infrastructure Facility, Biotechnology Division, CSIR-North East Institute of Science & Technology, Jorhat - 785 006, Assam, India.
Indo Global Journal of Pharmaceutical Sciences 4 : 8-17
Abstract : Herbal application of different plant parts has long been used as anti-diabetic agent by rural people since time immemorial in North East India. This unexplored paradise of India is geographically rich in medicinal plants diversity, where more than two hundred plant species are documented for their potential use in diabetic treatment by various ethnic and aboriginal communities. Presently thousand of small drug-like compounds have been elucidated from those reported plant species by many researchers. It has been revealed that Arginine Vessopressin Protein Receptor 2 (AVPR2) plays an important role in water homeostasis normally but certain mutation of AVRP2 leads to Nephrogenic Diabetes Insipidus (NDI) in human. However, the experimental 3D structure of this protein has not yet been established. Herein, an attempt has been made to predict an ideal homology based 3D model of this protein and docking studies against some of anti-diabetic compounds from those plants. The best 3D model was found with highest sequence identity and least RMSD of 0.1414. The Molecular Docking and ADME results suggest two potential agents as mutant AVPR2 protein inhibitor for future NDI therapeutics.