Building a pharmacophore model for a novel class of antitubercular compounds.
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.
Manetti
F
F
Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, Italy.
Corelli
F
F
Biava
M
M
Fioravanti
R
R
Porretta
G C
GC
Botta
M
M
D000995:Antitubercular Agents / Q000737:chemistry* / Q000494:pharmacology; D019295:Computational Biology; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D013329:Structure-Activity Relationship
D000995:Antitubercular Agents