Anticholinesterase activity of octa peptides related to human histatin 8: In-silico drug design and In-vitro

• Published in: Asian Journal of Pharmaceutical and Clinical Research
• Main Author: Perumal P.; Mani V.; Chigurupati S.; Selvaraj M.
• Format: Article
• Language: English
• Published: Innovare Academics Sciences Pvt. Ltd 2017
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85020908052&doi=10.22159%2fajpcr.2017.v10i6.17697&partnerID=40&md5=ad0d559ad885e10cf0a874b79d863c45

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 −9.494 and −7.401 against acetylcholinesterase (AChE) enzyme. The IC50 value of HH1 and HH2 was found to be 0.39±0.28 and 0.78±0.15 µg/mL. However, these compounds are shown to be highly effective as compared with the control AChE inhibitor donepezil (0.065±0.0050 µg/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. © 2017 The Authors.