Ontology highlight
ABSTRACT:
SUBMITTER: Bai Y
PROVIDER: S-EPMC2929769 | biostudies-literature | 2010 Sep
REPOSITORIES: biostudies-literature
Bai Yan Y Watt Beth B Wahome Paul G PG Mantis Nicholas J NJ Robertus Jon D JD
Toxicon : official journal of the International Society on Toxinology 20100520 4
We used two virtual screening programs, ICM and GOLD, to dock nearly 50,000 compounds into each of two conformations of the target protein ricin A chain (RTA). A limited control set suggests that candidates scored highly by two programs may have a higher probability of being ligands than those in a list from a single program. Based on the virtual screens, we purchased 306 compounds that were subjected to a kinetic assay. Six compounds were found to give modest, but significant, inhibition of RTA ...[more]