Global Analysis of Small Molecule Binding to Related Protein Targets
作者： Felix A. Kruger , John P. Overington
DOI: 10.1371/JOURNAL.PCBI.1002333
关键词:
摘要: We report on the integration of pharmacological data and homology information for a large scale analysis small molecule binding to related targets. Differences in have been assessed curated pairs human rat orthologs also recently diverged paralogs. Our shows that general, is conserved orthologs. Using statistical tests, we identified number cases where different between rat, some which had previously reported literature. Knowledge species specific pharmacology can be advantageous drug discovery, rats are frequently used as model system. For paralogs, demonstrate global correlation sequence identity molecules with equivalent affinity. findings provide an initial general relating divergence, containing foundations anticipate predict within-target-family selectivity.
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