AI Article Synopsis
- Human kallikrein 1 (KLK1) is crucial in inflammation and has been widely researched.
- From specific chemical reactions, two compounds (10 and 13) were created that effectively inhibit KLK1.
- The most effective compound (10) utilizes three structural changes to bind well to KLK1's active site and demonstrates a promising safety profile, making it a potential candidate for further drug development.
Article Abstract
Human kallikrein 1 (KLK1) is the most extensively studied member of this family and plays a major role in inflammation processes. From Ugi multicomponent reactions, isomannide-based peptidomimetic 10 and 13 where synthesized and showed low micromolar values of IC for KLK1 The most active compound (10) presented competitive mechanism, with three structural modifications important to interact with active site residues which corroborates its KLK1 inhibition. Finally, the most active compound also showed good ADMET profile, which indicates compound 10 as a potential hit in the search for new KLK1 inhibitors with low side effects.
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| http://dx.doi.org/10.1016/j.bmcl.2016.11.051 | DOI Listing |
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