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Structure-guided, target-based drug discovery – exploiting genome information from HIV to mycobacterial infections
Author(s) -
Sony Malhotra,
S.E. Thomas,
Bernardo Ochoa Montaño,
Tom L. Blundell
Publication year - 2016
Publication title -
postępy biochemii
Language(s) - English
Resource type - Journals
ISSN - 0032-5422
DOI - 10.18388/pb.2016_25
Subject(s) - computational biology , drug discovery , drug , human immunodeficiency virus (hiv) , identification (biology) , drug target , virtual screening , ligand efficiency , genome , biology , ligand (biochemistry) , bioinformatics , virology , genetics , pharmacology , gene , botany , receptor
The use of protein crystallography in structure-guided drug discovery allows identification of potential inhibitor-binding sites and optimisation of interactions of hits and lead compounds with a target protein. An early example of this approach was the use of the structure of HIV protease in designing AIDS antivirals. More recently, use of structure-guided design with fragment-based drug discovery, which reduces the size of screening libraries by decreasing complexity, has improved ligand efficiency in drug design. Here, we discuss the use of structure-guided target identification and lead optimisation using fragment-based approaches in the development of new antimicrobials for mycobacterial infections.

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