Computational Tools for Allosteric Drug Discovery: Site Identification and Focus Library Design.
Sign Up to like & getrecommendations! Published in 2017 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-6637-0_23
Abstract: Allostery is an intrinsic phenomenon of biological macromolecules involving regulation and/or signal transduction induced by a ligand binding to an allosteric site distinct from a molecule's active site. Allosteric drugs are currently receiving increased attention… read more here.
Keywords: allosteric sites; drug; site; allosteric drug ... See more keywords
Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2E69K
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DOI: 10.1007/s11030-020-10179-y
Abstract: Abstract The E69K mutation is one of the most frequent protein tyrosine phosphatase-2 (SHP2) mutations in leukemia, and it can cause the increase in the protein activity. Recent studies have shown that the E69K mutation… read more here.
Keywords: shp2; drug shp099; shp099 inhibiting; allosteric drug ... See more keywords
Structural Basis for Binding of Allosteric Drug Leads in the Adenosine A1 Receptor
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DOI: 10.1038/s41598-018-35266-x
Abstract: Despite intense interest in designing positive allosteric modulators (PAMs) as selective drugs of the adenosine A1 receptor (A1AR), structural binding modes of the receptor PAMs remain unknown. Using the first X-ray structure of the A1AR,… read more here.
Keywords: drug leads; binding modes; adenosine receptor; drug ... See more keywords