ANTICHOLINESTERASE ACTIVITY OF OCTA PEPTIDES RELATED TO HUMAN HISTATIN 8: IN-SILICO DRUG DESIGN AND IN-VITRO
Objective: To evaluate the octapeptides related to human histatin 8 by in-silico and in-vitro studies.
Method: Schrodinger, LLC and Ellman's method.
Results: The compound HH1 and HH2 was found to be potent docking score of âˆ’9.494 and âˆ’7.401 against acetylcholinesterase (AChE) enzyme. The IC50 value of HH1 and HH2 was found to be 0.39Â±0.28 and 0.78Â±0.15 Î¼g/mL. However, these compounds are shown to be highly effective as compared with the control AChE inhibitor donepezil (0.065Â±0.0050 Î¼g/mL).
Conclusion: In-silico docking study was conducted for the designed octapeptides related to human histatin 8 against AChE enzyme shows significance binding affinity toward HH1 and HH2 peptides and the AChE inhibitory activity of octapeptides shown to be a highly potent inhibitor as compared with control donepezil.
2. PÃ¡kÃ¡ski M, KÃ¡lmÃ¡n J. Interactions between the amyloid and cholinergic mechanisms in Alzheimerâ€™s disease. Neurochem Int 2008;53(5):103-11.
3. Small G, Dubois B. A review of compliance to treatment in Alzheimerâ€™s disease: Potential benefits of a transdermal patch. Curr Med Res Opin 2007;23(11):2705-13.
4. Perumal P, Pandey VP. Antimicrobial peptides: The role of hydrophobicity in the alpha helical structure. J Pharm Pharmacogn Res 2013;1(2):39-53.
5. Hollmann A, MartÃnez M, Noguera ME, Augusto MT, Disalvo A, Santos NC, et al. Role of amphipathicity and hydrophobicity in the balance between hemolysis and peptide-membrane interactions of three related antimicrobial peptides. Colloids Surf B Biointerfaces 2016;141:528-36.
6. Funke SA, Willbold D. Peptides for therapy and diagnosis of Alzheimerâ€™s disease. Curr Pharm Des 2012;18(6):755-67.
7. Perumal P, Pandey VP, Prabhu S. Antimicrobial activity of octapeptides related to human histatin 8. Eur J Pharm Med Res 2015;2(1):526-52.
8. Kryger G, Silman I, Sussman JL. Structure of acetylcholinesterase complexed with E2020 (Aricept): Implications for the design of new anti-Alzheimer drugs. Structure 1999;7(3):297-307.
9. Perumal P, Pandey VP. Docking studies on antimicrobial peptides related to apidaecin-IA and human histatin against glutamine synthetase and RNA polymerase in Mycobacterium tuberculosis. Asian J Pharm Clin Res 2014;7(5):195-201.
10. Krishnapriya MV, Sumathi T, Chinnasamy A, Balakrishnan G, Renjith P. Comparative analysis of potentiality of esculin and hinokitol (Î²-thujaplicin) as anti-parkinsonism drugs: A pilot in silico study. Int J Pharm Pharm Sci 2016;9(1):108-15.
11. Maestro. Schrodinger Release. Version 10.1. New York: Schrodinger, LLC; 2015.
12. SchrÃ¶dinger, LLC. PyMOL Molecular Graphics System. New York, USA: Schrodinger, LCC; 2010.
13. Ellman GL, Courtney KD, Andres V Jr, Feather-Stone RM. A new and rapid colorimetric determination of acetylcholinesterase activity. Biochem Pharmacol 1961;7(2):88-95.
14. Sachin SS, Archana RJ, Manoj NG. In-vitro antioxidant and anti-inflammatory activity of methanol extract of Oxalis corniculata Linn. Int J Pharm Pharm Sci 2010;2(1):146-55.
The publication is licensed under CC By and is open access. Copyright is with author and allowed to retain publishing rights without restrictions.