Comprehensive predictions of target proteins based on protein-chemical interaction using virtual screening and experimental verifications.

ABSTRACT:

Background

Identification of the target proteins of bioactive compounds is critical for elucidating the mode of action; however, target identification has been difficult in general, mostly due to the low sensitivity of detection using affinity chromatography followed by CBB staining and MS/MS analysis.

Results

We applied our protocol of predicting target proteins combining in silico screening and experimental verification for incednine, which inhibits the anti-apoptotic function of Bcl-xL by an unknown mechanism. One hundred eighty-two target protein candidates were computationally predicted to bind to incednine by the statistical prediction method, and the predictions were verified by in vitro binding of incednine to seven proteins, whose expression can be confirmed in our

SUBMITTER: Kobayashi H 

PROVIDER: S-EPMC3471015 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature