Data tool may uncover novel class of GPCRs
2021
Queen’s University Belfast, Belfast, United Kingdom(1)
University of London, London, United Kingdom(2)
University of London, London, United Kingdom(2)
In this study, the researchers have developed a computer-aided data tool that could uncover a novel class of G protein-coupled receptors (GPCRs) and lead to treatment for a range of illnesses. GPCRs are drug targets in many therapeutic areas such as inflammation, infertility, metabolic and neurological disorders, viral infections and cancer. Currently over a third of drugs act via GPCRs. Recent studies have uncovered the existence of allosteric sites that drugs can bind to and provide several therapeutic benefits. The researchers developed a computer-aided protocol to map allosteric sites in GPCRs with a view to start a rational search for allosteric drugs, presenting the opportunity for new solutions and therapies for a range of diseases. According to the team, the computer modelling tool will predict novel sites of binding for potential drugs that are more selective, leading to more effective drug targeting, increasing therapeutic efficacy and reducing side effects. Specifically, the data tool or protocol will uncover a novel class of compounds – allosteric drugs in GPCRs.
Probe confined dynamic mapping for G protein-coupled receptor allosteric site prediction
Irina G. Tikhonova(1), Peter J. McCormick(2)
Added on: 02-23-2022
[1] https://pubs.acs.org/doi/10.1021/acscentsci.1c00802[2] https://www.drugtargetreview.com/news/98953/groundbreaking-data-tool-may-uncover-novel-class-of-gpcrs/?utm_source=Email+marketing&utm_medium=email&utm_campaign=DTR+-+Industry+Insight+-+Thermo+Fisher+-+Informatics+-+19.11.21&utm_term=New+AI+technology+could+shape+the+future+of+RNA+therapeutics&utm_content=https%3a%2f%2femails.drugtargetreview.com%2frussellpublishinglz%2f&gator_td=Cwthm19KYaLKdDoL1rWudvLnht2Dws%2fbFsgEvlhM3rggV7N67epc45IYoHcBSrz0jchdfUZqCyw%2bWNkCaIelSwsxn0kBQQKvNuj9wL1qIkSwyC3HS2fWrlyxAduZw%2fmqW8sOg874fiDhxhovX5msWtsyFuicujiksLRIO%2f6CPAJtCWEAwrvOj%2fnkLUpBfJU9DsjAGHlwFGZcSEwy167MMRKETFKkPbsrKVbYsyDV%2fUlMx23ciiFuuwqRASOdfOeXT05rXhBh6Dl545N4RkHNdw%3d%3d
