PREDICTION OF ACTIVITY SPECTRA OF SUBSTANCES ASSISTED PREDICTION OF BIOLOGICAL ACTIVITY SPECTRA OF POTENTIAL ANTI-ALZHEIMER'S PHYTOCONSTITUENTS

  • Abhinav Anand Department of Pharmacology, School of Pharmaceutical Sciences, Lovely Professional University, Punjab, India.
  • Neha Sharma Department of Pharmacology, School of Pharmaceutical Sciences, Lovely Professional University, Punjab, India.
  • Navneet Khurana Department of Pharmacology, School of Pharmaceutical Sciences, Lovely Professional University, Punjab, India.

Abstract

Objective: To predict the biological activity of certain phytoconstituents for their anti-AD effects.

Methods: Several phytoconstituents were selected on the basis of reported literature. The anti-AD activities of selected phytoconstituents were predicted by employing canonical simplified molecular-input line-entry system obtained from PubChem using PASS online.

Results: Several phytoconstituents were predicted to have effects better than marketed drugs under some or the other out of the chosen six areas of pharmacological intervention. On the other hand, several new avenues were predicted in which the in vitro and in vivo evaluation of the phytoconstituents can be made on the basis of PASS predicted activities.

Conclusion: PASS is an important tool for virtually screening the compounds of interest for the biological activities of interest. This helps the researchers to streamline the research. However, PASS has its own share of limitations amidst a multitude of merits.

Keywords: Alzheimer’s disease, Prediction of activity spectra of substances, Phytoconstituents, Prediction.

Author Biography

Abhinav Anand, Department of Pharmacology, School of Pharmaceutical Sciences, Lovely Professional University, Punjab, India.
School of Pharmaceutical Sciences, Asst. Prof

References

1. World Health Organization. Dementia Fact Sheet. WHO; 2016. Available from: http://www.who.int/mediacentre/factsheets/fs362/en. [Last accessed on 2017 Apr 04].
2. Perl DP. Neuropathology of Alzheimer’s disease. Mt Sinai J Med 2010;77:32-42.
3. Dwyer BE, Zacharski LR, Balestra DJ, Lerner AJ, Perry G, Zhu X, et al. Getting the iron out: Phlebotomy for Alzheimer’s disease? Med Hypotheses 2009;72:504-9.
4. Centers for Disease Control and Prevention. Leading Causes of Death. CDC; 2017. Available from: https://www.cdc.gov/nchs/fastats/leading-causes-of-death.htm. [Last accessed on 2017 Apr 04].
5. Alzheimer’s Association. 2014 Alzheimer’s disease facts and figures. Alzheimers Dement 2014;10:e47-92.
6. Nisbet RM, Polanco JC, Ittner LM, Götz J. Tau aggregation and its interplay with amyloid-ß. Acta Neuropathol 2015;129:207-20.
7. McGleenon BM, Dynan KB, Passmore AP. Acetylcholinesterase inhibitors in Alzheimer’s disease. Br J Clin Pharmacol 1999;48:471-80.
8. Reisberg B, Doody R, Stöffler A, Schmitt F, Ferris S, Möbius HJ; Memantine Study Group. Memantine in moderate-to-severe Alzheimer’s disease. N Engl J Med 2003;348:1333-41.
9. Goel RK, Singh D, Lagunin A, Poroikov V. PASS-assisted exploration of new therapeutic potential of natural products. Med Chem Res 2010;20(9):1509-14.
10. Newman DJ, Cragg GM. Natural products as sources of new drugs over the last 25 years. J Nat Prod 2007;70:461-77.
11. Rollinger JM, Stuppner H, Langer T. Virtual screening for the discovery of bioactive natural products. Prog Drug Res 2008;65:211, 213-49.
12. Dembitsky VM, Gloriozova TA, Poroikov VV. Novel antitumor agents: Marine sponge alkaloids, their synthetic analogs and derivatives. Mini Rev Med Chem 2005;5:319-36.
13. Zotchev SB, Stepanchikova AV, Sergeyko AP, Sobolev BN, Filimonov DA, Poroikov VV. Rational design of macrolides by virtual screening of combinatorial libraries generated through in silico manipulation of polyketide synthases. J Med Chem 2006;49:2077-87.
14. Habibyar AF, Sharma N, Khurana N. PASS assisted prediction and pharmacological evaluation of hesperidin against scopolamine induced amnesia in mice. Eur J Pharmacol 2016;789:385-94.
15. Marwaha A, Goel RK, Mahajan MP. PASS-predicted design, synthesis and biological evaluation of cyclic nitrones as nootropics. Bioorg Med Chem Lett 2007;17:5251-5.
16. Rezai-Zadeh K, Shytle D, Sun N, Mori T, Hou H, Jeanniton D, et al. Green tea epigallocatechin-3-gallate (EGCG) modulates amyloid precursor protein cleavage and reduces cerebral amyloidosis in Alzheimer transgenic mice. J Neurosci 2005;25:8807-14.
17. Shin JW, Cheong YJ, Koo YM, Kim S, Noh CK, Son YH, et al. A-asarone ameliorates memory deficit in lipopolysaccharide-treated mice via suppression of pro-inflammatory cytokines and microglial activation. Biomol Ther (Seoul) 2014;22:17-26.
18. Hossain S, Hashimoto M, Katakura M, Al Mamun A, Shido O. Medicinal value of asiaticoside for Alzheimer’s disease as assessed using single-molecule-detection fluorescence correlation spectroscopy, laser-scanning microscopy, transmission electron microscopy, and in silico docking. BMC Complement Altern Med 2015;15:118.
19. Thaipisuttikul P, Galvin JE. Use of medical foods and nutritional approaches in the treatment of Alzheimer’s disease. Clin Pract (Lond) 2012;9:199-209.
20. Mishra S, Palanivelu K. The effect of curcumin (turmeric) on Alzheimer’s disease : An overview introduction curcumin and Alzheimer’s disease epidemiological studies curcumin as an anti-inflammatory in Alzheimer’s curcumin as an anti-oxidant. Ann Indian Acad Neurol 2008;11(1):13-9.
21. Sgarbossa A, Giacomazza D, di Carlo M. Ferulic acid: A hope for Alzheimer’s disease therapy from plants. Nutrients 2015;7:5764-82.
22. Guo AJ, Xie HQ, Choi RC, Zheng KY, Bi CW, Xu SL, et al. Galangin, a flavonol derived from Rhizoma Alpiniae Officinarum, inhibits acetylcholinesterase activity in vitro. Chem Biol Interact 2010;187(1- 3):246-8.
23. Zeng GF, Zong SH, Zhang ZY, Fu SW, Li KK, Fang Y, et al. The role of 6-gingerol on inhibiting amyloid ß protein-induced apoptosis in PC12 cells. Rejuvenation Res 2015;18:413-21.
24. Cui YM, Ao MZ, Li W, Yu LJ. Effect of glabridin from Glycyrrhiza glabra on learning and memory in mice. Planta Med 2008;74:377-80.
25. Justin Thenmozhi A, Raja TR, Janakiraman U, Manivasagam T. Neuroprotective effect of hesperidin on aluminium chloride induced Alzheimer’s disease in Wistar rats. Neurochem Res 2015;40:767-76.
26. Hoi CP, Ho YP, Baum L, Chow AH. Neuroprotective effect of honokiol and magnolol, compounds from Magnolia officinalis, on beta-amyloid-induced toxicity in PC12 cells. Phytother Res 2010;24:1538-42.
27. Liu Z, Zhao X, Liu B, Liu AJ, Li H, Mao X, et al. Jujuboside A, a neuroprotective agent from semen Ziziphi Spinosae ameliorates behavioral disorders of the dementia mouse model induced by Aß 1-42. Eur J Pharmacol 2014;738:206-13.
28. Mamun A, Hashimoto M, Hossain S, Katakura M. Confirmation of the experimentally-proven therapeutic utility of madecassoside in an A β 1-42 infusion rat model of Alzheimer’s disease by in silico analyses. Adv Alzheimers Dis 2015;4:37-44.
29. Ghofrani S, Joghataei MT, Mohseni S, Baluchnejadmojarad T, Bagheri M, Khamse S, et al. Naringenin improves learning and memory in an Alzheimer’s disease rat model: Insights into the underlying mechanisms. Eur J Pharmacol 2015;764:195-201.
30. Li F, Gong Q, Dong H, Shi J. Resveratrol, a neuroprotective supplement for Alzheimer’s disease. Curr Pharm Des 2012;18:27-33.
31. Seidl C, de Moraes Santos CA, De Simone A, Bartolini M, Weffort-Santos AM, Andrisano V. Uleine disrupts key enzymatic and non-enzymatic biomarkers that leads to Alzheimer’s disease. Curr Alzheimer Res 2017;14:317-26.
32. Song S, Ma X, Zhou Y, Xu M, Shuang S, Dong C. Studies on the interaction between vanillin and β-amyloid protein via fluorescence spectroscopy and atomic force microscopy. Chem Res Chin Univ 2016;32(2):172-7.
Statistics
362 Views | 384 Downloads
Citatons
How to Cite
Anand, A., N. Sharma, and N. Khurana. “PREDICTION OF ACTIVITY SPECTRA OF SUBSTANCES ASSISTED PREDICTION OF BIOLOGICAL ACTIVITY SPECTRA OF POTENTIAL ANTI-ALZHEIMER’S PHYTOCONSTITUENTS”. Asian Journal of Pharmaceutical and Clinical Research, Vol. 10, no. 16, Sept. 2017, pp. 13-21, doi:10.22159/ajpcr.2017.v10s4.21330.
Section
Original Article(s)