Structure-based drug screening for G-protein-coupled receptors

Brian K. Shoichet, Brian K. Kobilka

Research output: Contribution to journalReview ArticleResearchpeer-review

205 Citations (Scopus)

Abstract

G-protein-coupled receptors (GPCRs) represent a large family of signaling proteins that includes many therapeutic targets; however, progress in identifying new small molecule drugs has been disappointing. The past 4 years have seen remarkable progress in the structural biology of GPCRs, raising the possibility of applying structure-based approaches to GPCR drug discovery efforts. Of the various structure-based approaches that have been applied to soluble protein targets, such as proteases and kinases, in silico docking is among the most ready applicable to GPCRs. Early studies suggest that GPCR binding pockets are well suited to docking, and docking screens have identified potent and novel compounds for these targets. This review will focus on the current state of in silico docking for GPCRs.

Original languageEnglish
Pages (from-to)268-272
Number of pages5
JournalTrends in Pharmacological Sciences
Volume33
Issue number5
DOIs
Publication statusPublished - May 2012
Externally publishedYes

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