Methoxyphenol derivatives as reversible inhibitors of myeloperoxidase as potential antiatherosclerotic agents / Premkumar Jayaraj, Chandrakala A Narasimhulu, Andrei Maiseyeu, Rekha Durairaj, Shashidhar Rao, Sanjay Rajagopalan, Sampath Parthasarathy, Rajagopal Desikan
Aim:To evaluate new chemical entities, based on ferulic acid scaffolds, as reversible myeloperoxidase inhibitors (MPOI).Methodology & results:In silicodocking studies are performed with MPO protein as a target for several ferulic acid analogs followed by multiplein vitroassays to validate this approach. Two lead compounds2aand3are identified with optimum docking and IC50values: -7.95 kcal/mol, 0.9 μM and -8.35 kcal/mol, 8.5 μM, 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. Aim: Methodology & results: In silico in vitro 2a 3 50 Conclusion.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2019 |
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| Erschienen: |
2019 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:12 |
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| Enthalten in: |
Future medicinal chemistry - 12(2019), 2, Seite 95- |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Jayaraj, Premkumar [VerfasserIn] |
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| Links: |
FID Access [lizenzpflichtig] |
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| Umfang: |
1 Online-Ressource (16 p) |
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| doi: |
10.4155/fmc-2019-0080 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| 520 | |a Aim:To evaluate new chemical entities, based on ferulic acid scaffolds, as reversible myeloperoxidase inhibitors (MPOI).Methodology & results:In silicodocking studies are performed with MPO protein as a target for several ferulic acid analogs followed by multiplein vitroassays to validate this approach. Two lead compounds2aand3are identified with optimum docking and IC50values: -7.95 kcal/mol, 0.9 μM and -8.35 kcal/mol, 8.5 μM, 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. Aim: Methodology & results: In silico in vitro 2a 3 50 Conclusion | ||
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| 700 | 1 | |a Desikan, Rajagopal |e verfasserin |4 aut | |
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