{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["12"],"submitter":["Afifi H"],"pubmed_abstract":["In this study, we report the design and synthesis of a new series of pyrrolopyrimidine derivatives developed as dual-target nonsteroidal anti-inflammatory agents (NSAIDs). The compounds were evaluated for anti-inflammatory properties, cyclooxygenase-1/2 (COX-1/COX-2) inhibitory activity, and angiotensin-converting enzyme 2 (ACE2)-blocking activity in lipopolysaccharide (lipopolysaccharide)-stimulated RAW264.7 cells. Among the synthesized molecules, compounds <b>5a</b> and <b>5b</b> showed potent dual inhibitory activity, which was supported by molecular docking and molecular dynamics simulations. These findings highlight the potential of selective COX-2 inhibitors with concurrent ACE2 blockade as a promising therapeutic approach for controlling inflammation and modulating pathways relevant"],"journal":["Frontiers in molecular biosciences"],"pagination":["1710650"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12815825"],"repository":["biostudies-literature"],"pubmed_title":["Pyrrolopyrimidine derivatives as dual COX-2/ACE2 inhibitors: design, synthesis, and anti-inflammatory evaluation."],"pmcid":["PMC12815825"],"pubmed_authors":["Taha H","Gharib AF","Afifi H","El-Haggar R","Fatahala SS","Mahgoub S","Aly O","Sayed AI","Abd El-Hameed RH"],"additional_accession":[]},"is_claimable":false,"name":"Pyrrolopyrimidine derivatives as dual COX-2/ACE2 inhibitors: design, synthesis, and anti-inflammatory evaluation.","description":"In this study, we report the design and synthesis of a new series of pyrrolopyrimidine derivatives developed as dual-target nonsteroidal anti-inflammatory agents (NSAIDs). The compounds were evaluated for anti-inflammatory properties, cyclooxygenase-1/2 (COX-1/COX-2) inhibitory activity, and angiotensin-converting enzyme 2 (ACE2)-blocking activity in lipopolysaccharide (lipopolysaccharide)-stimulated RAW264.7 cells. Among the synthesized molecules, compounds <b>5a</b> and <b>5b</b> showed potent dual inhibitory activity, which was supported by molecular docking and molecular dynamics simulations. These findings highlight the potential of selective COX-2 inhibitors with concurrent ACE2 blockade as a promising therapeutic approach for controlling inflammation and modulating pathways relevant","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025","modification":"2026-06-06T17:47:53.637Z","creation":"2026-06-03T03:10:44.993Z"},"accession":"S-EPMC12815825","cross_references":{"pubmed":["41567862"],"doi":["10.3389/fmolb.2025.1710650"]}}