期刊
FUTURE MEDICINAL CHEMISTRY
卷 12, 期 2, 页码 95-110出版社
FUTURE SCI LTD
DOI: 10.4155/fmc-2019-0080
关键词
cardiovascular; ferulic acid; HDL; hypochlorous acid; LDL; methoxyphenol; myeloperoxidase; proline
资金
- VIT-RGEMS
- NIH [1R43HL103269, 1R43HL103350, HL130516]
Aim: To evaluate new chemical entities, based on ferulic acid scaffolds, as reversible myeloperoxidase inhibitors (MPOI). Methodology & results:In silico docking studies are performed with MPO protein as a target for several ferulic acid analogs followed by multiple in vitro assays to validate this approach. Two lead compounds 2a and 3 are identified with optimum docking and IC50 values: -7.95 kcal/mol, 0.9 mu M and -8.35 kcal/mol, 8.5 mu M, respectively. These MPOIs are able to inhibit oxidation of high-density lipoprotein and further promoted functionality of high-density lipoprotein. Conclusion: Lead analogs are potent MPOIs that exert specific effects on MPO-mediated oxidation as well as inflammatory pathways. It also acts as promoters of cholesterol efflux that sheds light on pharmacological approach in atherosclerosis treatment.
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