Accelerating GPCR drug discovery through computation and experiment integrated with direct detection of ligand binding events

npj Drug Discovery. 2026 Open access

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Authors: Judith Su, Stephen B. Liggett, Soo-Kyung Kim, Donghwa Kim, W.A. Goddard
DOI: 10.1038/s44386-026-00046-5
Cited by: 2
References: 39

Abstract

We present a perspective on an integrated workflow for GPCR drug discovery that combines computational modeling, functional cellular assays, and FLOWER, a label-free ultra-sensitive optical biosensing system for quantitating direct ligand receptor binding. We use bitter and sweet taste receptors (TAS2Rs and T1R2/T1R3) as examples of how FLOWER resolves receptor activation mechanisms left ambiguous after in silico screening and cell assays. This workflow offers a generalizable strategy for accelerating the discovery of selective and mechanism informed GPCR targeting therapeutics.

Fields of Study & Subjects

Biochemical Analysis and Sensing Techniques Receptor Mechanisms and Signaling Click Chemistry and Applications

Publication details

Journal / source
npj Drug Discovery.
Publisher
Springer Science and Business Media LLC
Volume
3
Issue
1
Pages
13–13
Publication date
9 April 2026
Language
EN