New Frontiers in Druggability.
Ontology highlight
ABSTRACT:
SUBMITTER: Kozakov D
PROVIDER: S-EPMC4762776 | biostudies-literature | 2015 Dec
REPOSITORIES: biostudies-literature
Publications
New Frontiers in Druggability.
Kozakov Dima D Hall David R DR Napoleon Raeanne L RL Yueh Christine C Whitty Adrian A Vajda Sandor S
Journal of medicinal chemistry 20150811 23
A powerful early approach to evaluating the druggability of proteins involved determining the hit rate in NMR-based screening of a library of small compounds. Here, we show that a computational analog of this method, based on mapping proteins using small molecules as probes, can reliably reproduce druggability results from NMR-based screening and can provide a more meaningful assessment in cases where the two approaches disagree. We apply the method to a large set of proteins. The results show t ...[more]
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