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Comment
. 2020 Jun;41(6):382-384.
doi: 10.1016/j.tips.2020.04.001. Epub 2020 Apr 24.

Structure-Based Virtual Screening Accelerates GPCR Drug Discovery

Lei Liu  1 , Ralf Jockers  2
Affiliations
Comment

Structure-Based Virtual Screening Accelerates GPCR Drug Discovery

Lei Liu et al. Trends Pharmacol Sci. 2020 Jun.

Abstract

Virtual ligand screening (VLS) against high-resolution structures of G-protein-coupled receptors (GPCRs) is likely to become the next-generation drug design approach of choice. Stein and colleagues recently demonstrated the feasibility of such an approach by discovering novel chemical scaffolds for the melatonin MT1 receptor and compounds with unique in vivo activities.

Keywords: G-protein-coupled receptor; circadian rhythm; melatonin; melatonin receptor.

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  • Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
    Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS, Stauch B, Johansson LC, Cherezov V, Kenakin T, Irwin JJ, Shoichet BK, Roth BL, Dubocovich ML. Stein RM, et al. Nature. 2020 Mar;579(7800):609-614. doi: 10.1038/s41586-020-2027-0. Epub 2020 Feb 10. Nature. 2020. PMID: 32040955 Free PMC article.

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