ArticleACS medicinal chemistry letters2026
Structure- and Ligand-Based Discovery of Novel Non-Arginine-Based DDAH1 Inhibitors with Anti-Triple-Negative Breast Cancer Activity.
Article in ACS medicinal chemistry letters, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Dimethylarginine dimethylaminohydrolase 1 (DDAH1) regulates nitric oxide (NO) synthesis, a key mediator of abnormal neovascularisation, i.e., vasculogenic mimicry, in triple negative breast cancer (TNBC). DDAH1 inhibitors have shown to suppress vasculogenic mimicry; however, they are mostly arginine-based and have limited bioavailability. In this study, we used ligand- and structure-based approaches to discover novel nonarginine-based DDAH1 inhibitors. Computational screening of over 1 million compounds led to the selection of 52 candidates for experimental testing, of which four showed more than 40% inhibition of DDAH1, with two inhibitors,
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