Category Archives: Computational Chemistry

Allosteric Anti-parasitics

In terms of drug design, there’s the important question of what biologically relevant molecule to target for therapeutic effects. In terms of leishmanial drug discovery, a very interesting new co-crystal structure was deposited in the protein data bank. The structure an allosteric inhibitor of Leishmania major co-crystallized with methionyl-tRNA synthetase. This interesting X-ray structure represents […]

Hit Identification

When starting a new pharmaceutical chemistry project, there are several common approaches. In my opinion, the most interesting is to take a natural product with known therapeutic properties and begin modifying its structure. This strategy has yielded life saving, world changing medicines including the penicillin based family of antibiotics. Another strategy is to simply perform […]

The Future of Drug Discovery

The future of drug discovery Mankind will always be seeking to create molecular medicines which can solve the health issues we face. Chemical technology is the primary force which can make mankind more healthy, productive, and content as we proceed past our biological prime. Discovering drugs which can do this is thus one of the […]