Working Group 5
Public web resources
WG5 will integrate and avail experimental data emanating from the Action and global field. This will disseminate results widely and sustainable, and inspire and equip the most valuable new studies to expand the coverage of receptors targets and pathways within the field. So far, work on the follow resources have been initiated:
01. Biased ligands in a database of reference probes.
02. An atlas of pathway physiological/therapeutic effects to inform the development of functionally selective probes/drugs.
03. A database of molecular dynamics trajectories to investigate the role of receptor dynamics in ligand-receptor activation and signal transduction.
04. Reference structures and sequence alignments, for GPCRs, G proteins and arrestins.
05. Data-driven tools to design new experiments, such as in vitro mutations to elucidate molecular mechanisms of chemical probes on signalling protein machineries
As the community and data grows, further online data and tools will be tailored together with the research community to define additional joint development-data generation projects and to raise the funding needed.
01. Flock, T., Hauser, A.S., Lund, N., Gloriam, D.E., Balaji, S. and Babu, M.M. (2017) Selectivity determinants of GPCR-G-protein binding. Nature, 545, 317-322.
02. Pandy-Szekeres, G., Munk, C., Tsonkov, T.M., Mordalski, S., Harpsoe, K., Hauser, A.S., Bojarski, A.J. and Gloriam, D.E. (2018) GPCRdb in 2018: adding GPCR structure models and ligands. Nucleic Acids Res, 46, D440-D446.
03. Harding, S.D., Sharman, J.L., Faccenda, E., Southan, C., Pawson, A.J., Ireland, S., Gray, A.J.G., Bruce, L., Alexander, S.P.H., Anderton, S., Bryant, C., Davenport, A.P., Doerig, C., Fabbro, D., Levi-Schaffer, F., Spedding, M. and Davies, J.A. (2017) The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY. Nucleic Acids Res., gkx1121-gkx1121.
04. Bento, A.P., Gaulton, A., Hersey, A., Bellis, L.J., Chambers, J., Davies, M., Krüger, F.A., Light, Y., Mak, L., McGlinchey, S., Nowotka, M., Papadatos, G., Santos, R. and Overington, J.P. (2014) The ChEMBL bioactivity database: an update. Nucleic Acids Res., 42, D1083-1090.
05. Isberg, V., de Graaf, C., Bortolato, A., Cherezov, V., Katritch, V., Marshall, F.H., Mordalski, S., Pin, J.P., Stevens, R.C., Vriend, G. and Gloriam, D.E. (2015) Generic GPCR residue numbers – aligning topology maps while minding the gaps. Trends Pharmacol. Sci., 36, 22-31.
WORK GROUP LEADERS