Trypanosomal Inhibitors via Target Class Repurposing Profiled

Guest blog from the desk of Dr. Michael Pollastri

CDD Blog Pollastri Modeling

The most recent data set profiled on CDD Public, called “PARASITES: Inhibitors via Target Class Repurposing” comes from Mike Pollastri’s laboratory at NEU. In this guest-blog post, Mike talks about his publications and data.

Our laboratory at Northeastern University collaborates with several parasitology groups around the world, performing neglected disease drug discovery. This shared data set contains the biochemical and cellular screening data for our published work applying the target class repurposing approach.  Currently, the published data sets include trypanosomal phosphpodiesterase (TbrPDEB1 and B2) inhibitor drug discovery project in collaboration with the Marine Biological Laboratory (Robert Campbell, PI), the trypanosomal Aurora kinase inhibitor discovery project in collaboration with Southern Methodist University (Larry Ruben), and the T. cruzi CYP51 inhibitor discovery project with New York University (Ana Rodriguez) and Vanderbilt University (Galina Lepesheva). Publication information is included in the data set. We update this data set each time a new medicinal chemistry paper emerges from our work, in order to help the wider NTD research community make the most of our results.

We use Collaborative Drug Discovery to privately register our compounds and to archive our screening data as a matter of course during our ongoing projects. All the collaborator labs have access to all the data. Upon publication, we are able to quickly convert this to a publicly-released data set. This is the working model for our planned “Hybrid Open NTD Drug Discovery Platform,” inviting multiple med chem and parasitology programs to join forces with us in NTD research. The more data we share pre-publication, the better we are able to make use of the limited resources we have for this important work. For more information, visit this link  or follow me on Twitter: @NUTrypKiller.

This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registration, structure activity relationship, chemical inventory, and electronic lab notebook capabilities!

CDD Vault: Drug Discovery Informatics your whole project team will embrace!

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