ArticleJournal of chemical information and modeling2025
Efficient Characterization of GPCRs Allosteric Modulation: Application to the Rational Design of De Novo S1PR1 Allosteric Modulators.
Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Stabilizing effects of geraniol on native and pathogenic M39R rhodopsin variants.Frontiers in neuroscience · 2026Article
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Authors and funding
2 authors.
Funding
Abstract
G-protein-coupled receptors (GPCRs) constitute the largest superfamily of integral membrane proteins in the human genome that mediate most transmembrane signaling processes. Malfunction of these signaling processes is related to many human pathologies (Parkinson's, heart diseases, etc.), causing GPCRs to be the largest family of druggable proteins. Traditionally, GPCRs were targeted by orthosteric ligands. However, this regulation usually causes side effects, provoking many GPCRs-associated pathologies to remain without an effective treatment. Allosteric regulation offers a promising alternative to circumvent this problem, and consequently, comprehending its details is of utmost importance. For this reason, we developed in the present work a methodology to study the allosteric modulation in a comprehensive way. Specifically, this methodology allows calculating the free energy profiles (Δ
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Registered trials
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