Citation

Tey, Han Jieh and Ng, Chong Han and Lim, Thong Leng (2019) Virtual Screening and ADMET Prediction of RanBP9 Inhibitors for Alzheimer’s Disease. In: 2019 7th International Conference on Information and Communication Technology (ICoICT), 24-26 July 2019, Kuala Lumpur, Malaysia.

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Abstract

As the most common type of dementia, Alzheimer’s disease (AD) has affected over 44 million of people worldwide. To date, there is no disease-modifying medication that could help to reduce the key toxic peptide in AD pathogenesis, amyloid beta (Aβ), in brain. This study is aimed to identify potential therapeutic agents that targeted on BACE1-interacting protein, RanBP9, from a natural compounds library. From the virtual drug screening and ADMET prediction result, compound 9 (ZINC8299685) and compound 15 (ZINC5415832) were identified as potential therapeutic agents in this study. Both compound 9 and 15 have low binding energy to the targeted protein, which are -8.3 and - 7.6 kcal/mol, respectively. Besides that, both of the compounds possess desirable physiochemical and pharmacokinetics properties, including drug-likeness and bioavailability. The virtual screening and ADMET prediction results indicate that this two compounds are good drug candidates, which can be further validated in laboratory experiments

Item Type:	Conference or Workshop Item (Paper)
Uncontrolled Keywords:	Medical screening, Alzheimer’s disease, Natural compounds, Virtual screening, ADMET prediction, RanBP9
Subjects:	R Medicine > RA Public aspects of medicine > RA421-790.95 Public health. Hygiene. Preventive medicine
Divisions:	Faculty of Information Science and Technology (FIST)
Depositing User:	Ms Rosnani Abd Wahab
Date Deposited:	24 Aug 2021 13:45
Last Modified:	24 Aug 2021 13:45
URII:	http://shdl.mmu.edu.my/id/eprint/8717

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