ANTICHOLINESTERASE ACTIVITY OF OCTA PEPTIDES RELATED TO HUMAN HISTATIN 8: IN-SILICO DRUG DESIGN AND IN-VITRO

  • Pandurangan Perumal Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Asian Institute of Medicine, Science and Technology University, 08100 Bedong, Kedah Darul Aman, Malaysia.
  • Mani Vasudevan Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al Qassim University, Qassim, Al qassim, Saudi Arabia.
  • Sridevi Chigurupati Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Asian Institute of Medicine, Science and Technology University, 08100 Bedong, Kedah Darul Aman, Malaysia.
  • Manikandan Selvaraj Department of Bio-informatics Centre, Integrative Pharmacogenomics Institute, Universiti Teknologi MARA, 42300 Bandar Puncak Alam, Selangor Darul Ehsan, Malaysia.

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.

Keywords: Alzheimer’s disease, Octapeptides, In-silico, In-vitro, Acetyl cholinesterase.

Author Biographies

Pandurangan Perumal, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Asian Institute of Medicine, Science and Technology University, 08100 Bedong, Kedah Darul Aman, Malaysia.

FACULTY OF PHARMACY

AIMST UNIVERSITY

 

Mani Vasudevan, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al Qassim University, Qassim, Al qassim, Saudi Arabia.
Faculty of Pharmacy, Al Qassim University, Qassim, Alqassim, Saudi Arabia
Sridevi Chigurupati, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Asian Institute of Medicine, Science and Technology University, 08100 Bedong, Kedah Darul Aman, Malaysia.

FACULTY OF PHARMACY

AIMST UNIVERSITY

 

Manikandan Selvaraj, Department of Bio-informatics Centre, Integrative Pharmacogenomics Institute, Universiti Teknologi MARA, 42300 Bandar Puncak Alam, Selangor Darul Ehsan, Malaysia.

Integrative Pharmacogenomics Institute (iPROMISE) 

Post doctoral fellow

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Perumal, P., M. Vasudevan, S. Chigurupati, and M. Selvaraj. “ANTICHOLINESTERASE ACTIVITY OF OCTA PEPTIDES RELATED TO HUMAN HISTATIN 8: IN-SILICO DRUG DESIGN AND IN-VITRO”. Asian Journal of Pharmaceutical and Clinical Research, Vol. 10, no. 6, June 2017, pp. 115-7, doi:10.22159/ajpcr.2017.v10i6.17697.
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