Pyrrole and Fused Pyrrole Compounds with Bioactivity against Inflammatory Mediators
| Autor: | Ghada I. Mahmoud, Samar S. Fatahala, Sherifa Hasabelnaby, Ayman Goudah, Rania Helmy Abd-El Hameed |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Male
pyrrolopyridines 0301 basic medicine synthesis Stereochemistry Anti-Inflammatory Agents Molecular Conformation Pharmaceutical Science Molecular Dynamics Simulation 01 natural sciences Article Analytical Chemistry lcsh:QD241-441 Structure-Activity Relationship 03 medical and health sciences chemistry.chemical_compound lcsh:Organic chemistry pyrroles In vivo Drug Discovery Animals Molecule Physical and Theoretical Chemistry Binding site Fourier transform infrared spectroscopy Pyrrole Molecular Structure cytokine inhibitors 010405 organic chemistry Chemistry Anti-Inflammatory Agents Non-Steroidal Organic Chemistry In vitro Rats 0104 chemical sciences Molecular Docking Simulation Pyrimidines 030104 developmental biology Chemistry (miscellaneous) Docking (molecular) anti-inflammatory assay Cytokines Molecular Medicine Inflammation Mediators docking study |
| Zdroj: | Molecules; Volume 22; Issue 3; Pages: 461 Molecules, Vol 22, Iss 3, p 461 (2017) Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry |
| ISSN: | 1420-3049 |
| DOI: | 10.3390/molecules22030461 |
| Popis: | A new series of pyrrolopyridines and pyrrolopyridopyrimidines have been synthesized from aminocyanopyrroles. The synthesized compounds have been characterized by FTIR, 1H-NMR and mass spectroscopy. The final compounds have been screened for in vitro pro-inflammatory cytokine inhibitory and in vivo anti-inflammatory activity. The biological results revealed that among all tested compounds some fused pyrroles, namely the pyrrolopyridines 3i and 3l, show promising activity. A docking study of the active synthesized molecules confirmed the biological results and revealed a new binding pose in the COX-2 binding site. |
| Databáze: | OpenAIRE |
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