This third research effort aims to complement computational drug discovery by enabling identification of drug candidates that may be toxic to the human body. Toxicological screening is essential for the drug development process. For example, bile acid homeostasis is essential for liver health, and disruption leads to hepatocellular damage; thus, we focus initially on the problem of evaluating a new drug candidate’s potential to disrupt bile acid homeostasis, a situation that can lead to hepatocellular damage and cholestatic drug-induced liver injury. Our efforts here are meant to provide another selection criterion that can be used to prioritise drugs for downstream validation in experimental laboratories.
If you wish to contribute and have interests across the wider scope of this activity, such as experimental validation, please get in touch by emailing Dr Hugh Martin (h.s.martin “at” ucl.ac.uk) with your name, institution, a one-paragraph summary of your area of expertise, and up to 5 of your most relevant publications, making clear which of the 6 areas of coronavirus research you are seeking to contribute to in this consortium.
CompBioMed-Coronavirus Pages:
CompBioMed and Coronavirus
The Consortium on Coronavirus
CompBioMed Partner Activity
Call for Contributions
Coronavirus Research Resources
Coronavirus Blog
Areas of Research:
Computational Drug Discovery
Epitope Analysis
Drug Toxicity
Computational Epidemiology
Virus Evolutionary Analysis
Host Response Analysis
