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

Pandurangan Perumal; Vasudevan Mani; Sridevi Chigurupati; Manikandan Selvaraj

doi:10.22159/ajpcr.2017.v10i6.17697

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

Pandurangan Perumal, Vasudevan Mani, Sridevi Chigurupati, Manikandan Selvaraj

Research output: Contribution to journal › Article › Research

2 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	115-117
Number of pages	3
Journal	Asian Journal of Pharmaceutical and Clinical Research
Volume	10
Issue number	6
DOIs	https://doi.org/10.22159/ajpcr.2017.v10i6.17697
Publication status	Published - Jun 2017
Externally published	Yes

Keywords

Acetyl cholinesterase
Alzheimer’s disease
In-silico
In-vitro
Octapeptides

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347478507-oaFinal published version, 828 KBLicence: CC BY

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title = "Anticholinesterase activity of octa peptides related to human histatin 8: In-silico drug design and in-vitro",

abstract = "Objective: To evaluate the octapeptides related to human histatin 8 by in-silico and in-vitro studies. Method: Schrodinger, LLC and Ellman{\textquoteright}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.",

keywords = "Acetyl cholinesterase, Alzheimer{\textquoteright}s disease, In-silico, In-vitro, Octapeptides",

author = "Pandurangan Perumal and Vasudevan Mani and Sridevi Chigurupati and Manikandan Selvaraj",

year = "2017",

month = jun,

doi = "10.22159/ajpcr.2017.v10i6.17697",

language = "English",

volume = "10",

pages = "115--117",

journal = "Asian Journal of Pharmaceutical and Clinical Research",

issn = "0974-2441",

publisher = "Innovare Academic Sciences",

number = "6",

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TY - JOUR

T1 - Anticholinesterase activity of octa peptides related to human histatin 8

T2 - In-silico drug design and in-vitro

AU - Perumal, Pandurangan

AU - Mani, Vasudevan

AU - Chigurupati, Sridevi

AU - Selvaraj, Manikandan

PY - 2017/6

Y1 - 2017/6

N2 - 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.

AB - 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.

KW - Acetyl cholinesterase

KW - Alzheimer’s disease

KW - In-silico

KW - In-vitro

KW - Octapeptides

UR - https://www.scopus.com/pages/publications/85020908052

U2 - 10.22159/ajpcr.2017.v10i6.17697

DO - 10.22159/ajpcr.2017.v10i6.17697

M3 - Article

AN - SCOPUS:85020908052

SN - 0974-2441

VL - 10

SP - 115

EP - 117

JO - Asian Journal of Pharmaceutical and Clinical Research

JF - Asian Journal of Pharmaceutical and Clinical Research

IS - 6

ER -

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

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Keywords

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