ChemDiv’s 3D Mimetics PPI Library contains 1,503 compounds. It includes single isomers, caged compounds, etc.
Protein–protein interactions (PPIs) play a central role in many cellular processes and are involved in numerous pathways, including different stages of cancer development, host–pathogen interactions, and other diseases. With a recently estimated number of 300,000 in humans, the possibilities for therapeutic intervention are significantly larger compared to ‘classical’ drug targets. Despite the longheld assumption that PPIs were poorly druggable, they have shown increasing potential as new therapeutic targets over the last 10 years. Modulators of these original interactions are likely to lead to the next generation of highly innovative drugs that should reach the market in the next decade. As a result, PPIs are the most screened target class in high-throughput screening (HTS) now.
It is obvious that the nature is three-dimensional and therefore recognizes small molecules in a complementary 3D-fashion, and so drugs are likely to be more selective for their targets (especially in PPIs) if they are three-dimensional too. Not coincidentally, compounds with diverse and well-developed 3D-shapes have gained most attractiveness on the market of screening compounds for HTS over the last several years.
Medicinal and Computational Chemistry Dept., ChemDiv, Inc.
12760 High Bluff Dr, San Diego, CA, 92130
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