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Volume 8 Journal of Alzheimers Disease & Parkinsonism
ISSN: 2161-0460 Dementia 2018
October 29-31, 2018
October 29-31, 2018 | Valencia, Spain
12th International Conference on
Alzheimer’s Disease & Dementia
In silico identification of novel ApoE4 inhibitor for Alzheimer’s disease therapy
Muhammad Asif Rasheed
COMSATS University Islamabad, Sahiwal, Pakistan
ApoE4 is a major genetic risk factor due to its increased incidence of developing Alzheimer’s disease. The study was designed
to predict such compounds that may help 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 proteins 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 and 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 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
showed physical and functional interaction with related proteins. Our study predicted 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.
Biography
Muhammad Asif Rasheed recently completed PhD studies from Huazhong Agricultural University, Wuhan, China. He has his expertise in Bioinformatics and passion in
improving health and wellbeing. He applied different bioinformatics approaches to predict the virulence factors in Mycoplasma bovisbacteria. He simultaneously published
review articles by applying different bioinformatics tools on proteins related to liver cirrhosis. Currently, he is working on therapeutic aspects of Alzheimer’s disease.
Muhammad Asif Rasheed, J Alzheimers Dis Parkinsonism 2018, Volume 8
DOI: 10.4172/2161-0460-C7-054