title: Building a pharmacophore model for a novel class of antitubercular compounds.
abstract: Starting from a set of 32 antitubercular compounds, for the first time a three-dimensional pharmacophore model has been derived through a computational approach based on CATALYST software. The model proved to be able to identify compounds belonging to classes of molecules already reported as antitubercular agents.
authors.affiliation: Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, Italy.
authors.forename: F
authors.initials: F
authors.lastname: Manetti
authors.forename: F
authors.initials: F
authors.lastname: Corelli
authors.forename: M
authors.initials: M
authors.lastname: Biava
authors.forename: R
authors.initials: R
authors.lastname: Fioravanti
authors.forename: G C
authors.initials: GC
authors.lastname: Porretta
authors.forename: M
authors.initials: M
authors.lastname: Botta
mesh_terms: D000995:Antitubercular Agents / Q000737:chemistry* / Q000494:pharmacology; D019295:Computational Biology; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D013329:Structure-Activity Relationship
chemical_list: D000995:Antitubercular Agents