Ontology highlight
ABSTRACT:
SUBMITTER: Tonddast-Navaei S
PROVIDER: S-EPMC5403588 | biostudies-literature | 2017 Jun
REPOSITORIES: biostudies-literature
Tonddast-Navaei Sam S Srinivasan Bharath B Skolnick Jeffrey J
Journal of computational chemistry 20161116 15
Conventional small molecule drug-discovery approaches target protein pockets. However, the limited number of geometrically distinct pockets leads to widespread promiscuity and deleterious side-effects. Here, the idea of COmposite protein LIGands (COLIG) that interact with each other as well as the protein within a single ligand binding pocket is examined. As a practical illustration, experimental evidence that E. coli Dihydrofolate reductase inhibitors are COLIGs is presented. Then, analysis of ...[more]