Drug screening strategy for human membrane proteins: from NMR protein backbone structure to in silica- and NMR-screened hits.

ABSTRACT: About 8000 genes encode membrane proteins in the human genome. The information about their druggability will be very useful to facilitate drug discovery and development. The main problem, however, consists of limited structural and functional information about these proteins because they are difficult to produce biochemically and to study. In this paper we describe the strategy that combines Cell-free protein expression, NMR spectroscopy, and molecular DYnamics simulation (CNDY) techniques. Results of a pilot CNDY experiment provide us with a guiding light towards expedited identification of the hit compounds against a new uncharacterized membrane protein as a potentially druggable target. These hits can then be further characterized and optimized to develop the initial lead compound quick

SUBMITTER: Lindert S 

PROVIDER: S-EPMC4457379 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature