ANTI-PARKINSON POTENTIAL OF PERSEA AMERICANA SEED EXTRACTS THROUGH IN-SILICO DOCKING STUDY
Objective: The aim of this study is to investigate the potential of Persea americana extracts for their Anti-Parkinson application through an in-silico docking study.
Methods: PubChem and protein data bank databases were used to retrieve 3D structures. AutoDock4 was used to perform protein-ligand docking analysis. PyMOL was used to visualize the docking results.
Results: Among the 30 ligand, the highest affinity was demonstrated by Hesperidin with a free binding energy of −6.8 kcal/mol and formation of five hydrogen bonds. The second highest significance was demonstrated by Biphenyl 4-(4-diethylaminobenzylidenamino) with a free binding energy of −5.9 kcal/mol with the formation of 2 hydrogen bonds. Among the three sets of phytochemicals from different solvent extracts, water extract demonstrated the highest potential as Anti-Parkinson active.
Conclusion: P. americana extracts were analyzed for their Anti-Parkinson potential, and among the three extracts, the aqueous extract was predicted to have significant Anti-Parkinson potential, based on in silico docking analysis, due to the presence of active phytochemicals such as Hesperidin and others.
2. Duester KC. Avocados a look beyond basic nutrition for one of nature’s whole foods. Nutr Today 2000;35:151-7.
3. Yasir M, Das S, Kharya MD. The phytochemical and pharmacological profile of Persea americana mill. Pharmacogn Rev 2010;4:77.
4. Hasler CM, Bloch AS, Thomson CA, Enrione E, Manning C. Position of the American dietetic association: Functional foods. J Am Diet Assoc 2004;104:814-26.
5. U.S. Department of Agriculture. Avocado, Almond, Pistachio and Walnut Composition. Washington, DC: U.S. Department of Agriculture: 2011.
6. World Health Organization. Neurological Disorders Affect Millions Globally: WHO Report. Brussels, Geneva: World Health Organization; 2007.
7. Toth C. Diabetes and neurodegeneration in the brain. In: Handbook of Clinical Neurology. Vol. 126. Netherlands: Elsevier; 2014. p. 489-511.
8. Mecocci P, Polidori MC, Ingegni T, Cherubini A, Chionne F, Cecchetti R, et al. Oxidative damage to DNA in lymphocytes from AD patients. Neurology 1998;51:1014-7.
9. Bresgen N, Karlhuber G, Krizbai I, Bauer H, Bauer HC, Eckl PM. Oxidative stress in cultured cerebral endothelial cells induces chromosomal aberrations, micronuclei, and apoptosis. J Neurosci Res 2003;72:327-33.
10. Petrozzi L, Lucetti C, Scarpato R, Gambaccini G, Trippi F, Bernardini S, et al. Cytogenetic alterations in lymphocytes of Alzheimer’s disease and Parkinson’s disease patients. Neurol Sci 2002;23:S97-8.
11. Migliore L, Fontana I, Trippi F, Colognato R, Coppede F, Tognoni G, et al. Oxidative DNA damage in peripheral leukocytes of mild cognitive impairment and AD patients. Neurobiol Aging 2005;26:567-73.
12. Nunomura A, Perry G, Aliev G, Hirai K, Takeda A, Balraj EK, et al. Oxidative damage is the earliest event in Alzheimer disease. J Neuropathol Exp Neurol 2001;60:759-67.
13. Alberti KG, Zimmet PZ. Definition, diagnosis and classification of diabetes mellitus and its complications. Part 1: Diagnosis and classification of diabetes mellitus. Provisional report of a WHO consultation. Diabet Med 1998;15:539-53.
14. Moreira PI, Oliveira CR. Mitochondria as potential targets in antidiabetic therapy. In: Diabetes-perspectives in Drug Therapy. Berlin, Germany: Springer; 2011. p. 331-56.
15. Neef D, Walling A. Dementia with lewy bodies: An emerging disease. Am Fam Physician 2006;73:1223-9.
16. Meade RM, Fairlie DP, Mason JM. Alpha-synuclein structure and Parkinson’s disease-lessons and emerging principles. Mol Neurodegener 2019;14:29.
17. Chandra S, Chen X, Rizo J, Jahn R, Sudhof TC. A broken alpha-helix in folded alpha-synuclein. J Biol Chem 2003;278:15313-8.
18. Burré J, Sharma M, Tsetsenis T, Buchman V, Etherton MR, Südhof TC. Alpha-synuclein promotes SNARE-complex assembly in vivo and in vitro. Science 2010;329:1663-7.
19. Ceretta LB, Réus GZ, Rezin GT, Scaini G, Streck EL, Quevedo J. Brain energy metabolism parameters in an animal model of diabetes. Metab Brain Dis 2010;25:391-6.
20. Yehuda S, Rabinovitz S, Carasso RL, Mostofsky DI. The role of polyunsaturated fatty acids in restoring the aging neuronal membrane. Neurobiol Aging 2002;23:843-53.
21. Alzheimer Research UK. Reducing Your Risk of Dementia. Cambridge, United Kingdom: Alzheimer Research UK; 2017.
22. Ameer K. Avocado as a major dietary source of antioxidants and its preventive role in neurodegenerative diseases. In: The Benefits of Natural Products for Neurodegenerative Diseases. Berlin, Germany: Springer; 2016. p. 337-54.
23. Ortega-Arellano HF, Jimenez-Del-Rio M, Velez-Pardo C.Neuroprotective effects of methanolic extract of avocado Persea americana (Var. Colinred) peel on paraquat-induced locomotor impairment, lipid peroxidation and shortage of life span in transgenic knockdown parkin Drosophila melanogaster. Neurochem Res 2019;44:1986-98.
24. Sarich C. After Reading This You’ll Never Throw Out an Avocado Seed Again. Available from: http://www.themindunleashed.com/2017/04/ reading-youll-never-throw-avocado-seed.html.
25. Kusuma MT, Susilowati R. In silico study of avocado (Persea americana mill.) seed compounds against PBP2a receptor on Staphylococcus aureus. Bioinforma Biomed Res J 2018;1:45-8.
26. Chai WM, Wei MK, Wang R, Deng RG, Zou ZR, Peng YY. Avocado proanthocyanidins as a source of tyrosinase inhibitors: Structure characterization, inhibitory activity, and mechanism. J Agric Food Chem 2015;63:7381-7.
27. Ragunathan A, Ravi L. Molecular docking analysis of anticancerous interactions of salinomycin. J Chem Pharm Res 2015;7:352-7.
28. Vijayakumar S, Ragunathan A, Ravi L. Interactions of shikonin a potent antitumor drug with its known protein targets. Res J Life Sci Bioinforma Pharm Chem Sci 2016;2:1-8.
29. Ravi L, Ragunathan A. Potential drug targets for aloin and microdontin: AN in silico analysis. Asian J Pharm Clin Res 2016;9:194-6.
30. Pisal P, Deodhar M, Kale A, Nigade G, Pawar S. Design, synthesis, docking studies and biological evaluation of 2-phenyl-3-(substituted benzo[d] thiazol-2-ylamino)-quinazoline-4(3h)-one derivatives as antimicrobial agents. Int J Pharm Pharm Sci 2018;10:57.
31. Miladiyah I, Jumina J, Haryana SM, Mustofa M. In silico molecular docking of xanthone derivatives as cyclooxygenase-2 inhibitor agents. Int J Pharm Pharm Sci 2017;9:98-104.
32. Rafiq Z, Sivaraj S, Vaidyanathan R. Computational docking and in silico analysis of potential efflux pump inhibitor punigratane. Int J Pharm Pharm Sci 2018;10:27-34.
33. Gupta E, Gupta SR, Kumar A, Kulshreshtha A, Ranjan R, Niraj K. Section : Biotechnology molecular docking study to identify potent inhibitors of alpha-synuclein aggregation of Parkinson’ s disease. Int J Contemp Med Res 2019;6:5-12.
34. Jayaraj RL, Ranjani V, Manigandan K, Elangovan N. In silico docking studies to identify potent inhibitors of alpha-synuclein aggregation in parkinson disease. Asian J Pharm Clin Res 2013;6:127-31.
This work is licensed under a Creative Commons Attribution 4.0 International License.
The publication is licensed under CC By and is open access. Copyright is with author and allowed to retain publishing rights without restrictions.