AI Article Synopsis
- MMP-2 and MMP-8 are crucial enzymes in cancer treatment, leading to the development of dihydropyrazothiazole derivatives (E1-E18) as potential inhibitors.
- Compound E17 showed the strongest inhibitory effects against MMP-2 and MMP-8, outperforming the known drug CMT-1.
- Advanced techniques like CoMFA, CoMSIA, and docking simulations were used to evaluate the compounds, with E4 demonstrating the ability to cause apoptosis in breast cancer cells (MCF-7).
Article Abstract
MMP-2/MMP-8 is established as one of the most important metalloenzymes for targeting cancer. A series of dihydropyrazothiazole derivatives (E1-E18) bearing a salicylaldehyde group linked to Pyrazole ring were designed, synthesized, and evaluated for their pharmacological activity as MMP-2/MMP-8 inhibitors. Among them, compound E17 exhibited most potent inhibitory activity (IC = 2.80 μM for MMP-2 and IC = 5.6 μM for MMP-8), compared to the positive drug CMT-1 (IC = 1.29 μM). Compounds (E1-E18) were scrutinized by CoMFA and CoMSIA techniques of Three-dimensional quant. structure-activity relationship (3D-QSAR), as well as a docking simulation. Moreover, treatment with compound E4 could induce MCF-7 cell apoptosis. Overall, the biological profile of E1-E18 may provide a research basis for the development of new agents against cancer.
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| http://dx.doi.org/10.1016/j.bmcl.2018.05.004 | DOI Listing |
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