title: Quinoline-4-methyl esters as human nonpancreatic secretory phospholipase A₂ inhibitors.
abstract: A series of novel fused heterocycle methyl esters were designed and synthesized as human nonpancreatic secretory phospholipase A₂ (hnps-PLA₂) competitive inhibitors. Among the 22 synthesized compounds, 17 quinoline-4-methyl esters displayed hnps-PLA₂ inhibition activity in the in vitro bioassay. The IC₅₀ value for the best compound 3o was 1.5 μM. The structure-inhibition-activity relationships of the compounds were studied using molecular docking.
authors.affiliation: BNLMS, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.
authors.forename: Yiran
authors.initials: Y
authors.lastname: Wu
authors.forename: Zheng
authors.initials: Z
authors.lastname: Chen
authors.forename: Ying
authors.initials: Y
authors.lastname: Liu
authors.forename: Lanlan
authors.initials: L
authors.lastname: Yu
authors.forename: Lu
authors.initials: L
authors.lastname: Zhou
authors.forename: Suijia
authors.initials: S
authors.lastname: Yang
authors.forename: Luhua
authors.initials: L
authors.lastname: Lai
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D004952:Esters; D054501:Group II Phospholipases A2 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D006801:Humans; D011804:Quinolines / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D013329:Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D004952:Esters; D011804:Quinolines; C561101:methyl 6-methoxy-2-phenethylquinoline-4-carboxylate; C037219:quinoline; D054501:Group II Phospholipases A2