In Silico Molecular Docking of Antidiabetic Agents from Medicinal Plants of Bangladesh against Glycogen Synthase Kinase
Keywords:
Antidiabetic, Arjunic Acid, Bangladesh, Docking, Gallic Acid, Quercetin
Abstract
Diabetes Mellitus (DM) is a metabolic disorder which affects the people of all groups around the world. Although medication is available in the market but plant derived compounds are often preferable to everyone due to their less toxicity and side effects. This study has been designed to investigate the interaction between medicinal plant derived antidiabetic agents (Arjunic acid, Quercetin and Gallic Acid) and regulatory target enzyme, Glycogen Synthase Kinase-3 Beta (GSK3B). Quercetin showed the strong interaction with the target molecule among the all compounds. However, further in vitro study is required to find out the best remedy of diabetes.
References
1. ADA (2014); Diagnosis and classification of diabetes mellitus; American Diabetes Association. Diabetes Care; 37:S81-S90.
2. BIOvIA, D. S. (2015); Discovery studio modeling environment; San Diego, Dassault Systemes, Release, 4
3. Cheng FC, Shen SC, Wu JS (2009); Effect of guava (Psidium guajava L.) leaf extract on glucose uptake in rat hepatocytes; Journal of food science; 74(5): H132-8.
4. Dajani R, Fraser E, Roe SM, Young N, Good V, Dale TC, Pearl LH (2001); Crystal structure of glycogen synthase kinase 3β: structural basis for phosphate-primed substrate specificity and autoinhibition; Cell; 105(6):721-32.
5. Ewing TJ, Kuntz ID (1997); Critical evaluation of search algorithms for automated molecular docking and database screening; Journal of Computational Chemistry; 18(9):1175-89.
6. Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS. and Olson AJ. (2009); Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity; J. Computational Chemistry; 16: 2785-91.
7. Morshed MA, Haque A, Rokeya B, Ali L (2011); Anti-hyperglycemic and lipid lowering effect of Terminalia arjuna Bark extract on Streptozotocin induced Type-2 Diabetic Model Rats; International Journal of Pharmacy and Pharmaceutical Sciences; 3(4): 449-53.
8. Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004); UCSF Chimera--a visualization system for exploratory research and analysis; J Comput Chem; 25(13):1605-12.
9. Rahmatullah M, Khatun MA, Morshed N, Neogi PK, Khan SU, Hossan MS, Mahal MJ, Jahan R (2010); A randomized survey of medicinal plants used by folk medicinal healers of Sylhet Division, Bangladesh; Advances in Natural and Applied Sciences; 4(1):52-62.
10. Rayasam GV, Tulasi VK, Sodhi R, Davis JA, Ray A (2009); Glycogen synthase kinase 3: more than a namesake; British journal of pharmacology; 156(6):885-98.
11. Roglic G (20016); WHO Global report on diabetes: A summary; Int J Non-Commun Dis;1:3-8
12. Sabu MC, Kuttan R (2009); Antidiabetic and antioxidant activity of Terminalia belerica. Roxb; Indian journal of experimental biology; 47(4):270-5.
13. Tapsell LC, Hemphill I, Cobiac L, Sullivan DR, Fenech M, Patch CS, Roodenrys S, Keogh JB, Clifton PM, Williams PG, Fazio VA (2006); Health benefits of herbs and spices: the past, the present, the future; The Medical Journal of Australia; 185 (4): S1-S24.
2. BIOvIA, D. S. (2015); Discovery studio modeling environment; San Diego, Dassault Systemes, Release, 4
3. Cheng FC, Shen SC, Wu JS (2009); Effect of guava (Psidium guajava L.) leaf extract on glucose uptake in rat hepatocytes; Journal of food science; 74(5): H132-8.
4. Dajani R, Fraser E, Roe SM, Young N, Good V, Dale TC, Pearl LH (2001); Crystal structure of glycogen synthase kinase 3β: structural basis for phosphate-primed substrate specificity and autoinhibition; Cell; 105(6):721-32.
5. Ewing TJ, Kuntz ID (1997); Critical evaluation of search algorithms for automated molecular docking and database screening; Journal of Computational Chemistry; 18(9):1175-89.
6. Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS. and Olson AJ. (2009); Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity; J. Computational Chemistry; 16: 2785-91.
7. Morshed MA, Haque A, Rokeya B, Ali L (2011); Anti-hyperglycemic and lipid lowering effect of Terminalia arjuna Bark extract on Streptozotocin induced Type-2 Diabetic Model Rats; International Journal of Pharmacy and Pharmaceutical Sciences; 3(4): 449-53.
8. Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004); UCSF Chimera--a visualization system for exploratory research and analysis; J Comput Chem; 25(13):1605-12.
9. Rahmatullah M, Khatun MA, Morshed N, Neogi PK, Khan SU, Hossan MS, Mahal MJ, Jahan R (2010); A randomized survey of medicinal plants used by folk medicinal healers of Sylhet Division, Bangladesh; Advances in Natural and Applied Sciences; 4(1):52-62.
10. Rayasam GV, Tulasi VK, Sodhi R, Davis JA, Ray A (2009); Glycogen synthase kinase 3: more than a namesake; British journal of pharmacology; 156(6):885-98.
11. Roglic G (20016); WHO Global report on diabetes: A summary; Int J Non-Commun Dis;1:3-8
12. Sabu MC, Kuttan R (2009); Antidiabetic and antioxidant activity of Terminalia belerica. Roxb; Indian journal of experimental biology; 47(4):270-5.
13. Tapsell LC, Hemphill I, Cobiac L, Sullivan DR, Fenech M, Patch CS, Roodenrys S, Keogh JB, Clifton PM, Williams PG, Fazio VA (2006); Health benefits of herbs and spices: the past, the present, the future; The Medical Journal of Australia; 185 (4): S1-S24.
Published
2019-07-01
How to Cite
[1]
Prottoy, N., Boby, A., Sarkar, B., Ullah, A. and Hossain, S. 2019. In Silico Molecular Docking of Antidiabetic Agents from Medicinal Plants of Bangladesh against Glycogen Synthase Kinase. PharmaTutor. 7, 7 (Jul. 2019), 18-20.
Section
Articles
