title: Typology of secondary cyanobacterial metabolites from minimum spanning tree analysis.
abstract: Recently, two main events have spurred a rapid increase in cyanobacteria chemical, toxicological, and ecological research. The first deals with the interest in isolating compounds from these organisms as source of active products with potential therapeutic applications. The second pertains the crucial problem of harmful cyanobacterial blooms in the aquatic environments. In this context, 594 secondary metabolites belonging to more than 30 genera of cyanobacteria were retrieved from literature. In order to perform their typology, they were first associated with 87 different molecular archetypes and two orphan classes. These 89 groups of molecular structures were then confronted to minimum spanning tree analysis. Attempts were made to graphically derive chemotaxonomical relationships. The interest of QSAR models for estimating the potential pharmacological interest of the cyanobacterial secondary metabolites was also discussed.
authors.affiliation: Département Régulations, Développement et Diversité Moléculaire, USM 0502, UMR 8041 CNRS, Museum National d'Histoire Naturelle, 63 rue de Buffon, 75005 Paris, France.
authors.forename: M
authors.initials: M
authors.lastname: Guyot
authors.forename: J C
authors.initials: JC
authors.lastname: Doré
authors.forename: J
authors.initials: J
authors.lastname: Devillers
mesh_terms: D001685:Biological Factors / Q000302:isolation & purification / Q000494:pharmacology; D002965:Classification; D000458:Cyanobacteria / Q000737:chemistry* / Q000145:classification; D005068:Eutrophication; D008962:Models, Theoretical; D021281:Quantitative Structure-Activity Relationship
chemical_list: D001685:Biological Factors