title: Thrombin inhibitors from the freshwater cyanobacterium Anabaena compacta.
abstract: Bioassay-guided investigation of the cyanobacterium Anabaena compacta extracts afforded spumigin J (1) and the known thrombin inhibitor spumigin A (2). The absolute configuration of 1 was analyzed by advanced Marfey's methodology. Compounds 1 and 2 inhibited thrombin with EC(50) values of 4.9 and 2.1 μM, and 0.7 and 0.2 μM in the cathepsin B inhibitory assay, respectively. The MM-GBSA methodology predicted spumigin A with 2S-4-methylproline as the better thrombin inhibitor.
authors.affiliation: Division of Environmental Materials Science, Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810, Japan.
authors.forename: Andrea Roxanne J
authors.initials: AR
authors.lastname: Anas
authors.forename: Takaya
authors.initials: T
authors.lastname: Kisugi
authors.forename: Taiki
authors.initials: T
authors.lastname: Umezawa
authors.forename: Fuyuhiko
authors.initials: F
authors.lastname: Matsuda
authors.forename: Marc R
authors.initials: MR
authors.lastname: Campitelli
authors.forename: Ronald J
authors.initials: RJ
authors.lastname: Quinn
authors.forename: Tatsufumi
authors.initials: T
authors.lastname: Okino
mesh_terms: D017033:Anabaena / Q000737:chemistry*; D005618:Fresh Water / Q000382:microbiology*; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D011392:Proline / Q000031:analogs & derivatives / Q000737:chemistry; D013917:Thrombin / Q000037:antagonists & inhibitors*
chemical_list: C474411:4-methylproline; D011392:Proline; D013917:Thrombin