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Pharm Res. 2010 May;27(5):739-49. doi: 10.1007/s11095-010-0065-2. Epub 2010 Mar 11.

In-silico approaches to multi-target drug discovery : computer aided multi-target drug design, multi-target virtual screening.

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Bioinformatics and Drug Design Group, Department of Pharmacy, Centre for Computational Science and Engineering, National University of Singapore, Blk S16, Level 8, 3 Science Drive 2, Singapore, 117543, Singapore.


Multi-target drugs against selective multiple targets improve therapeutic efficacy, safety and resistance profiles by collective regulations of a primary therapeutic target together with compensatory elements and resistance activities. Efforts have been made to employ in-silico methods for facilitating the search and design of selective multi-target agents. These methods have shown promising potential in facilitating drug discovery directed at selective multiple targets.

[Indexed for MEDLINE]

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