Recent Advances in Structure-Based Drug Design Targeting Class A G Protein-Coupled Receptors Utilizing Crystal Structures and Computational Simulations

Yoonji Lee, Shaherin Basith, Sun Choi

Research output: Contribution to journalReview articlepeer-review

78 Scopus citations

Abstract

G protein-coupled receptors (GPCRs) represent the largest and most physiologically important integral membrane protein family, and these receptors respond to a wide variety of physiological and environmental stimuli. GPCRs are among the most critical therapeutic targets for numerous human diseases, and approximately one-third of the currently marketed drugs target this receptor family. The recent breakthroughs in GPCR structural biology have significantly contributed to our understanding of GPCR function, ligand binding, and pharmacological action as well as to the design of new drugs. This perspective highlights the latest advances in GPCR structures with a focus on the receptor-ligand interactions of each receptor family in class A nonrhodopsin GPCRs as well as the structural features for their activation, biased signaling, and allosteric mechanisms. The current state-of-the-art methodologies of structure-based drug design (SBDD) approaches in the GPCR research field are also discussed.

Original languageEnglish
Pages (from-to)1-46
Number of pages46
JournalJournal of Medicinal Chemistry
Volume61
Issue number1
DOIs
StatePublished - 11 Jan 2018

Bibliographical note

Funding Information:
This work was supported by the Midcareer Researcher Program (NRF-2017R1A2B4010084 to S. C.) funded by the Ministry of Science ICT & Future Planning (MSIP) and Research Fellow Program (NRF-2016R1A6A3A11932436 to Y. L.) funded by the Ministry of Education through the National Research Foundation (NRF) of Korea.

Funding Information:
This work was supported by the Midcareer Researcher Program (NRF-2017R1A2B4010084 to S. C.) funded by the Ministry of Science, ICT & Future Planning (MSIP) and Research Fellow Program (NRF-2016R1A6A3A11932436 to Y. L.) funded by the Ministry of Education through the National Research Foundation (NRF) of Korea.

Publisher Copyright:
© 2017 American Chemical Society.

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