Uddipta Das, Jaskiran Kaur, Manish Vyas, Surajpal Verma, Gopal Khatik
Uddipta Das1, Jaskiran Kaur2, Manish Vyas3, Surajpal Verma1, Gopal Khatik1*
1Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar- Delhi, G.T. Road, Phagwara, Punjab India (144411).
2Department of Pharmacology, School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar- Delhi G.T. Road, Phagwara, Punjab India (144411).
3Department of Ayurveda, School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar- Delhi G.T. Road, Phagwara, Punjab India (144411).
Volume - 13,
Issue - 10,
Year - 2020
Intake of the high level of sugar may cause diabetes which is a metabolic disorder. It is characterized by hyperglycemia, glycosuria, hyperlipidemia, negative nitrogen balance, and ketonemia. Types of diabetes are type 1, is dependent on insulin. The pancreatic islets beta cells are destroyed where most of the cases are autoimmune (Type IA) antibodies that destroy beta cells are detectable in blood, but some are idiopathic also (Type IB). Type 2, is the type of diabetes that is independent of insulin. There is a reduction in the insulin level. GLP-1 is an important incretin that will induce insulin from the pancreatic beta-cell. It will inhibit the release of glucagon. The GLP-1 receptors will get activated where the appetite will get suppressed. In this research, we have designed different novel GLP-1 agonists by changing the amino group of ligand pyrazole carboxamide. The designed ligands were docked on protein 5vex. Among these UDI29 is chosen for further studies like interaction, with a bindinghigh affinity of -8.4 kcal/mol.
Cite this article:
Uddipta Das, Jaskiran Kaur, Manish Vyas, Surajpal Verma, Gopal Khatik. Identification of Glucagon-Like Peptide-1 (GLP-1) receptor agonists as a potential antidiabetic agent through molecular docking. Research J. Pharm. and Tech. 2020; 13(10):4770-4776. doi: 10.5958/0974-360X.2020.00839.2
Uddipta Das, Jaskiran Kaur, Manish Vyas, Surajpal Verma, Gopal Khatik. Identification of Glucagon-Like Peptide-1 (GLP-1) receptor agonists as a potential antidiabetic agent through molecular docking. Research J. Pharm. and Tech. 2020; 13(10):4770-4776. doi: 10.5958/0974-360X.2020.00839.2 Available on: https://rjptonline.org/AbstractView.aspx?PID=2020-13-10-42
1. Tripathi, K. Essential of Medical Pharmacology. Fifth ed.; Jaypee Brother: New Delhi, 2003.
2. Association, A. D. Economic costs of diabetes in the US in 2012. 2013, DC_122625.
3. D’adamo, E.; Caprio, S. Type 2 diabetes in youth: epidemiology and pathophysiology. J Diabetes Care 2011, 34, S161-S165.
4. Anonymous. Diabetes facts and figures. The American Diabetes Association. http://www.diabetes.org Accessed 10 Oct 2018.
5. Holst, J. J. The physiology of glucagon-like peptide 1. Physiol Rev 2007, 87, 1409-1439.
6. Kreymann, B.; Ghatei, M.; Williams, G.; Bloom, S. Glucagon-like peptide-1 7-36: a physiological incretin in man. Lancet 1987, 2, 1300-1304.
7. Gautier, J.; Fetita, S.; Sobngwi, E.; Salaün-Martin, C. Biological actions of the incretins GIP and GLP-1 and therapeutic perspectives in patients with type 2 diabetes. Diabetes Metab 2005, 31, 233-242.
8. Manandhar, B.; Ahn, J.-M. Glucagon-like peptide-1 (GLP-1) analogs: recent advances, new possibilities, and therapeutic implications. J Med Chem 2014, 58, 1020-1037.
9. McBrayer, D. N.; Tal‐Gan, Y. Recent Advances in GLP‐1 Receptor Agonists for Use in Diabetes Mellitus. Drug Dev Res 2017, 78, 292-299.
10. Kaur, K.; Kaur, P.; Mittal, A.; Nayak, S.; Khatik, G. Design and molecular docking studies of novel antimicrobial peptides using Autodock molecular docking software. Asian J Pharm Clin Res 2017, 10, 28-31.
11. Kaur, K.; Khatik, G. Identification of novel 5-styryl- 1,2,4-oxadiazole/Triazole derivatives as the potential antiandrogens through molecular docking study. Int J Pharm Pharm Sci 2016, 8, 72-77.
12. Trott, O.; Olson, A. J. Auto Dock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 2010, 31(2), 455-461.
13. Anonymous. PDB 5vex was accessed from: http:// www.rcsb.org/pdb/explore.do?pdbId= Accessed on 10 Oct 2018.
14. Anonymous. Energy minimizations were performed MM2 Interface program on ChemBio3D Ultra 12.0, and structures were drawn by Chem Bio Drwa Ultra 12.0 (Cambridge Soft).
15. Bashary, R. and Khatik, G.L. Design, and facile synthesis of 1, 3 diaryl-3-(arylamino) propan-1-one derivatives as the potential alpha-amylase inhibitors and antioxidants. Bioorg Chem 2018, 82, 156-162.
16. Kaur, P., Mittal, A., Nayak, S.K., Vyas, M., Mishra, V., Khatik, G.L. Current Strategies and Drug Targets in the Management of Type 2 Diabetes Mellitus. Curr Drug Targets 2018, 19(15), 1738-1766.
17. Osanyinpeju, O.S., Bashary, R., Mittal, A., Mittal, Vyas, M., Nayak, S.K., Khatik, G.L. A comparative study of stereochemical effects of anti-prostate agents by molecular docking. Asian J Pharm Clin Res 2018, 11(2), 76-80.
18. Ramjith U.S., Muhammed S. Molecular Docking Study of Novel Imidazo[2,1-b]-1,3,4 thiadiazole derivatives. Research J. Pharm. and Tech 2013, 6(6), 688-694.
19. Sravani, M., Duganath, N., Gade, D.R., Reddy R.C.H. Insilico Analysis and Docking of Imatinib Derivatives Targeting BCR-ABL Oncoprotein for Chronic Myeloid Leukemia. Asian J. Research Chem. 2012, 5(1), 153-158.
20. Chauhan, R., Singh, N., Abraham, J. Bioactivity and Molecular Docking of Secondary Metabolites produced by Streptomyces xanthochromogenes JAR5. Research J. Pharm. and Tech. 2015, 8(3), 300-309.
21. Shanmugapriya, E., Ravichandiran, V., Aanandhi, M.V. Molecular docking studies on naturally occurring selected flavones against protease enzyme of Dengue virus. Research J. Pharm. and Tech. 2016, 9(7), 929-932.
22. Dhananjayan, K., Sumathy, A., Palanisamy, S. Molecular Docking Studies and in-vitro Acetylcholinesterase Inhibition by Terpenoids and Flavonoids. Asian J. Research Chem. 2013, 6(11), 1011-1017.
23. Reddy, N.V.L.S., Anarthe S.J., Raju, G.M, Akhila, M, Raj, P. G.B. Molecular docking studies of isolated compounds from Cassia fistula on HMG-COA reductase. Asian J. Research Chem. 2019, 12(2), 89-93.
24. Napoleon, A.A., Sharma, V. Molecular Docking and In-vitro anti-inflammatory evaluation of Novel Isochromen-1-one analogues from Etodolac. Research J. Pharm. and Tech. 2017, 10(8), 2446-2450.
25. Suganya, J., Viswanathan T., Radha, M., Marimuthu, N. In silico Molecular Docking studies to investigate interactions of natural Camptothecin molecule with diabetic enzymes. Research J. Pharm. and Tech. 2017, 10(9), 2917-2922.
26. Hemalatha, K., Girija K. Evaluation of Drug Candidature of some Benzimidazole Derivatives as Biotin Carboxylase Inhibitors: Molecular docking and Insilico studies. Asian J. Res. Pharm. Sci. 2016, 6(1), 15-20.
27. Hemalatha, K., Selvin, J., Girija, K. Synthesis, In silico Molecular Docking Study and Anti-bacterial Evaluation of some Novel 4-Anilino Quinazolines. Asian J. Pharm. Res. 2018, 8(3), 125-132.