title: Pyrrole and Fused Pyrrole Compounds with Bioactivity against Inflammatory Mediators.
abstract: 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 pyrrolopyridines3iand3l, 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.
authors.affiliation: Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Helwan University, Ain-Helwan, Helwan 11795, Cairo, Egypt. samarradwan1@yahoo.com.
authors.forename: Samar
authors.initials: S
authors.lastname: Said Fatahala
authors.affiliation: Pharmaceutical Chemistry Department, Faculty of Pharmacy, Helwan University, Ain-Helwan, Helwan 11795, Cairo, Egypt. sherifajanaa@yahoo.com.|Department of Chemistry and Biochemistry, Concordia University, 7141 rue Sherbrooke O., Montréal, H4Bm1R6 QC, Canada. sherifajanaa@yahoo.com.
authors.forename: Sherifa
authors.initials: S
authors.lastname: Hasabelnaby
authors.affiliation: Department of Pharmacology, Faculty of Veterinary Medicine, Cairo University, Giza/Egypt, Giza 12211, Egypt. aymangouda@yahoo.com.
authors.forename: Ayman
authors.initials: A
authors.lastname: Goudah
authors.affiliation: Department of Biochemistry, Faculty of Agriculture, Cairo University, Giza/Egypt, Giza 12211, Egypt. ssfathallah@yahoo.com.
authors.forename: Ghada I
authors.initials: GI
authors.lastname: Mahmoud
authors.affiliation: Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Helwan University, Ain-Helwan, Helwan 11795, Cairo, Egypt. zeiadomar@yahoo.com.
authors.forename: Rania
authors.initials: R
authors.lastname: Helmy Abd-El Hameed
mesh_terms: D000818:Animals; D000893:Anti-Inflammatory Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D016207:Cytokines / Q000037:antagonists & inhibitors / Q000737:chemistry; D018836:Inflammation Mediators / Q000037:antagonists & inhibitors* / Q000737:chemistry; D008297:Male; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D011743:Pyrimidines; D011758:Pyrroles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D051381:Rats; D013329:Structure-Activity Relationship
chemical_list: D000893:Anti-Inflammatory Agents; D000894:Anti-Inflammatory Agents, Non-Steroidal; D016207:Cytokines; D018836:Inflammation Mediators; D011743:Pyrimidines; D011758:Pyrroles
keywords: anti-inflammatory assay; cytokine inhibitors; docking study; pyrroles; pyrrolopyridines; synthesis