title: Interaction of Glucagon G-Protein Coupled Receptor with Known Natural Antidiabetic Compounds: Multiscoring In Silico Approach.
abstract: Glucagon receptor (GCGR) is a secretin-like (class B) family of G-protein coupled receptors (GPCRs) in humans that plays an important role in elevating the glucose concentration in blood and has thus become one of the promising therapeutic targets for treatment of type 2 diabetes mellitus. GCGR based inhibitors for the treatment of type 2 diabetes are either glucagon neutralizers or small molecular antagonists. Management of diabetes without any side effects is still a challenge to the medical system, and the search for a new and effective natural GCGR antagonist is an important area for the treatment of type 2 diabetes. In the present study, a number of natural compounds containing antidiabetic properties were selected from the literature and their binding potential against GCGR was determined using molecular docking and other in silico approaches. Among all selected natural compounds, curcumin was found to be the most effective compound against GCGR followed by amorfrutin 1 and 4-hydroxyderricin. These compounds were rescored to confirm the accuracy of binding using another scoring function (x-score). The final conclusions were drawn based on the results obtained from the GOLD and x-score. Further experiments were conducted to identify the atomic level interactions of selected compounds with GCGR.
authors.affiliation: School of Biotechnology, Yeungnam University, Gyeongsan 712749, Republic of Korea.
authors.forename: M H
authors.initials: MH
authors.lastname: Baig
authors.affiliation: Department of Biosciences, Integral University, Lucknow 226026, India.
authors.forename: K
authors.initials: K
authors.lastname: Ahmad
authors.affiliation: School of Biotechnology, Yeungnam University, Gyeongsan 712749, Republic of Korea.
authors.forename: Q
authors.initials: Q
authors.lastname: Hasan
authors.affiliation: Department of Bioengineering, Integral University, Lucknow 226026, India.
authors.forename: M K A
authors.initials: MK
authors.lastname: Khan
authors.affiliation: School of Computational and Integrative Sciences, Jawaharlal Nehru University, New Delhi 110067, India.
authors.forename: N S
authors.initials: NS
authors.lastname: Rao
authors.affiliation: King Fahd Medical Research Center, King Abdulaziz University, P.O. Box 80216, Jeddah 21589, Saudi Arabia ; Enzymoics, 7 Peterlee Place, Hebersham, NSW 2770, Australia.
authors.forename: M A
authors.initials: MA
authors.lastname: Kamal
authors.affiliation: School of Biotechnology, Yeungnam University, Gyeongsan 712749, Republic of Korea.
authors.forename: I
authors.initials: I
authors.lastname: Choi