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Volume 8
Journal of Alzheimers Disease & Parkinsonism
ISSN: 2161-0460
Euro Dementia 2018
May 24-25, 2018
May 24-25, 2018 | Vienna, Austria
11
th
International Conference on
Alzheimers Disease & Dementia
In
silico
identification of novel ApoE4 inhibitor for Alzheimer’s disease therapy
Muhammad Asif Rasheed
COMSATS Institute of Information Technology–Sahiwal, Pakistan
A
poE4 is a major genetic risk factor due to its role in the increased incidence of developing Alzheimer’s disease. The study
was designed to predict such compounds that may be helpful in designing drugs to suppress the over activity of ApoE4
protein. 22 natural compounds (marine, microorganism and plant derivative) were used as inhibitors and docked with ApoE4
(PDB id: 1B68). Six synthetic compounds (in clinical trials) were docked with target protein to compare and analyze the docking
results with natural compounds. Compounds, S-allyl-l-cysteine, epicatechin gallate and fulvic acid show high binding affinity
i.e. -7.1, - 7 and -7, respectively. Epicatechin gallate shows hydrogen bond with Gln156 and Asp35; fulvic acid shows hydrogen
bonding with Glu27. In case of synthetic compounds, tideglusib did not show hydrogen bonding with any amino acid residue
of ApoE4 but showed high binding affinity of -7.2, same as that of the natural compound s-allyl-l-cysteine, which showed
high binding affinity of -7.1 but did not show hydrogen bonding with any amino acid residue. Protein-protein interactions of
ApoE4 show physical and functional interaction with related proteins. Our study predicts a compound epicatechin gallate on
the basis of binding affinity and hydrogen bonding with amino acid residue as a potential lead compound which may be used
as an inhibitor.
asif.rasheed@ciitsahiwal.edu.pkJ Alzheimers Dis Parkinsonism 2018, Volume 8
DOI:10.4172/2161-0460-C3-043