Journal
CURRENT DRUG TARGETS
Volume 11, Issue 3, Pages 264-278Publisher
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/138945010790711914
Keywords
Computational protein design; human immunodeficiency virus 1; purine nucleoside phosphorylase; ubiquitin specific protease 7; histone demethylases
Categories
Funding
- National Science Foundation
- National Institutes of Health [R01 GM52032, R24 GM069736]
- US Environmental Protection Agency
- EPA [R 832721-010]
- U.S. Environmental Protection Agency [R 832721-010]
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R24GM069736, R01GM052032] Funding Source: NIH RePORTER
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This paper provides an overview of computational de novo protein design methods, highlighting recent advances and successes. Four protein systems are described that are important targets for drug design: human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases. Target areas for drug design for each protein are described, along with known inhibitors, focusing on peptidic inhibitors, but also describing some small-molecule inhibitors. Computational design methods that have been employed in elucidating these inhibitors for each protein are outlined, along with steps that can be taken in order to apply computational protein design to a system that has mainly used experimental methods to date.
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