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. 2021 Feb 27;246(9):1011–1024. doi: 10.1177/1535370221993422

Table 4.

Successful cases for the discovery of biased agonists for GPCRs in recent years.

GPCR Representative biased agonist Molecule/dataset for computational studies Research categories and methodologies Year
MT1/MT2 4-phenyl-2-propionamidotetralin Library of 8.4 million fragment-like and lead-like compounds SBDD. Molecular docking 2020
D2R UNC0006; aripiprazole Library of about 13000 compounds SBDD. Homology modeling; molecular docking 2017/2018
5-HT2AR 2,5-dimethoxy-4- nitrophenethylamine 3-(aminoethyl)1-methylindol-5-ol; 5-methyltryptamine; 5-Nitro-1H-indole-3-ethanamine SBDD. MD; molecular docking; ligand-residue interaction analysis 2015
β2AR BI-167107 ZINC library of 3.4 million lead-like and fragment-like molecules SBDD. Homology modeling; molecular docking 2013