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bioRxiv · 10.1101/2022.03.16.484667

GPCR-IFP: A Web Server for Analyzing G-Protein Coupled Receptor-Ligand Fingerprint Interaction from Experimental Structures

Xu, M.·Li, Y.·Dong, J.·Yuan, S.
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Abstract

G-protein coupled receptors (GPCRs) are interesting targets for a broad range of drugs. The comprehensions of the interactions mode between GPCRs and their ligands remains to be resolved. Here, we present GPCR-IFP, a web server which drives to gather experimental information supports a better understanding of ligand-receptor interaction and the chemical space. Despite the vast chemical library used for drug discovery, the structures of ligands for a particular receptor share some common molecular features. Thus, we foraged to collect all experimental structures of GPCRs and analyzed protein-ligand interactions which resulted in important unique patterns for both agonist and antagonist. All those results can be analyzed and visualized in GPCR-IFP, a friendly-used webserver.

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Xu, M., Li, Y., Dong, J., Yuan, S.. 2022-03-18. GPCR-IFP: A Web Server for Analyzing G-Protein Coupled Receptor-Ligand Fingerprint Interaction from Experimental Structures. https://doi.org/10.1101/2022.03.16.484667

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