Structure-guided, target-based drug discovery - exploiting genome information from HIV to mycobacterial infections.

Abstract

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.

• Authors: Sony Malhotra, Sherine E Thomas, Bernardo Ochoa Montano, Tom L Blundell
• Journal: Postepy biochemii (Postepy Biochem) 2016 Vol. 62 Issue 3 Pg. 262-272 ISSN: 0032-5422 [Print] Poland
• Vernacular Title: Wspomagane strukturą ukierunkowane projektowanie leku - eksploracja informacji genetycznej od wirusa HIV po mykobakterie.
• PMID: 28132480 (Publication Type: Journal Article, Review)

Chemical References

• Anti-Bacterial Agents
• Anti-HIV Agents
• Proteins

Topics

• Anti-Bacterial Agents (chemistry, pharmacology, therapeutic use)
• Anti-HIV Agents (chemistry, pharmacology, therapeutic use)
• Binding Sites
• Crystallography
• Drug Discovery (methods)
• HIV Infections (drug therapy)
• Humans
• Mycobacterium Infections (drug therapy)
• Protein Conformation
• Proteins (antagonists & inhibitors, chemistry, metabolism)
• Structure-Activity Relationship