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- W2355402893 abstract "Objective: Taking angiotesin converting enzyme(ACE) as the receptor, to design corresponding ACE inhibitor(ACEI). Methods: To adopt computer-aided drug design(CADD) method. The parameters in software LigBuilder was fixed based on the information of ACE and existing ACEI. Results: 1 500 inhibitor molecules were designed, and filtered a new ACEI molecule whose score was the highest. It's molecular formula was C27H36N2O3, molecular weight was 436, and logP score was 4.95 and binding score was 11.71. Conclusion: The calculational score indicates that this molecule can bind to ACE better, and have high fat soluble. This research provides a starting structure for further development of high efficiency ACEI drugs." @default.
- W2355402893 created "2016-06-24" @default.
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- W2355402893 date "2006-01-01" @default.
- W2355402893 modified "2023-09-24" @default.
- W2355402893 title "The Design of Angiotesin Converting Enzyme Inhibitor" @default.
- W2355402893 hasPublicationYear "2006" @default.
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