ANTI-PARKINSON POTENTIAL OF PERSEA AMERICANA SEED EXTRACTS THROUGH IN-SILICO DOCKING STUDY

Authors

  • RACHAEL EVANGELINE Department of Botany, St. Joseph’s College (Autonomous), Bengaluru, Karnataka, India.
  • NIHAL AHMED Department of Life Sciences, Christ University, Bengaluru, Karnataka, India.

DOI:

https://doi.org/10.22159/ajpcr.2020.v13i5.37160

Keywords:

Persea americana, Hesperidin, protein-ligand docking, AutoDock 4, PyMOL

Abstract

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.

Downloads

Download data is not yet available.

References

Rainey C, Affleck M, Bretschger K, Alfin-Slater RB. The California avocado: A new look. Nutr Today 1994;29:23-7.

Duester KC. Avocados a look beyond basic nutrition for one of nature’s whole foods. Nutr Today 2000;35:151-7.

Yasir M, Das S, Kharya MD. The phytochemical and pharmacological profile of Persea americana mill. Pharmacogn Rev 2010;4:77.

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.

U.S. Department of Agriculture. Avocado, Almond, Pistachio and Walnut Composition. Washington, DC: U.S. Department of Agriculture: 2011.

World Health Organization. Neurological Disorders Affect Millions Globally: WHO Report. Brussels, Geneva: World Health Organization; 2007.

Toth C. Diabetes and neurodegeneration in the brain. In: Handbook of Clinical Neurology. Vol. 126. Netherlands: Elsevier; 2014. p. 489-511.

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.

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.

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.

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.

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.

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.

Moreira PI, Oliveira CR. Mitochondria as potential targets in antidiabetic therapy. In: Diabetes-perspectives in Drug Therapy. Berlin, Germany: Springer; 2011. p. 331-56.

Neef D, Walling A. Dementia with lewy bodies: An emerging disease. Am Fam Physician 2006;73:1223-9.

Meade RM, Fairlie DP, Mason JM. Alpha-synuclein structure and Parkinson’s disease-lessons and emerging principles. Mol Neurodegener 2019;14:29.

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.

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.

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.

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.

Alzheimer Research UK. Reducing Your Risk of Dementia. Cambridge, United Kingdom: Alzheimer Research UK; 2017.

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.

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.

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.

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.

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.

Ragunathan A, Ravi L. Molecular docking analysis of anticancerous interactions of salinomycin. J Chem Pharm Res 2015;7:352-7.

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.

Ravi L, Ragunathan A. Potential drug targets for aloin and microdontin: AN in silico analysis. Asian J Pharm Clin Res 2016;9:194-6.

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.

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.

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.

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.

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.

Published

07-05-2020

How to Cite

EVANGELINE, R., and N. AHMED. “ANTI-PARKINSON POTENTIAL OF PERSEA AMERICANA SEED EXTRACTS THROUGH IN-SILICO DOCKING STUDY”. Asian Journal of Pharmaceutical and Clinical Research, vol. 13, no. 5, May 2020, pp. 152-5, doi:10.22159/ajpcr.2020.v13i5.37160.

Issue

Section

Original Article(s)