The ricin toxin is a dimeric rRNA N-glycosidase produced in castor beans (<i>Ricinus communis</i>) that removes a specific adenine within the sarcin-ricin loop (SRL) of 28S rRNA, thereby inactivating the ribosome. Due to its toxicity and ease of access, the Centers for Disease Control and Prevention (CDC) have classified ricin toxin as a category B bioterrorism agent. To date, there are no anti-toxin treatments approved for ricin poisoning. In an effort to identify novel, biologically active RTA inhibitors residing in previously unexplored chemical space, our lab has performed a virtual high-throughput screen using co-crystal structures of the catalytic A chain bound to a known small-molecule inhibitor. Topomeric searching was conducted followed by docking and scoring. Here we report the structures of the identified hits as well as preliminary biophysical data confirming the affinity of these compounds for ricin toxin.

Discovery of ricin toxin inhibitors through <i>in silico</i> methods

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

Discovery of ricin toxin inhibitors through in silico methods