Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors

Few years ago, the World Health Organization estimated the number of adults with trichomoniasis at 170 million worldwide, more than the combined numbers for gonorrhea, syphilis, and chlamydia. To combat this sexually transmitted disease, Metronidazole (MTZ) has emerged, since 1959, as a powerful dru...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Rivera-Barroto, O.M., Marrero-Ponce, Y., Meneses-Marcel, A., Escario, J.A., Barrio, A.G., Arán, V.J., Alho, M.A.M., Pereira, D.M., Nogal, J.J., Torrens, F., Ibarra-Velarde, F., Montenegro, Y.V., Huesca-Guillén, A., Rivera, N., Vogel, C.
Formato: JOUR
Materias:
Bond-based bilinear indices
LDA-based QSAR model
Lead generation
TOMOCOMD-CARDD software
Trichomonacidal
abunidazole
acetarsol
aminitrozole
anisomycin
antitrichomonal agent
azanidazole
cariolin
carnidazole
clioquinol
clotrimazole
forminitrazole
furazolidone
glycarsiamidon
glycobiarzol
imoctetrazoline
lauroguadine
lauroguanidine
luthenurine
mepartricin
metronidazole
moxnidazole
nifuratel
nimorazole
propenidazole
satranidazole
secnidazole
thiacetarsamide
tivanidazole
unclassified drug
unindexed drug
virustomycin a
antiprotozoal activity
article
computer aided design
concentration (parameters)
correlation coefficient
discriminant analysis
drug determination
drug research
drug screening
drug synthesis
in vitro study
incidence
macrophage
mathematical analysis
prediction
priority journal
quantitative structure activity relation
stochastic model
Trichomonas vaginalis
trichomoniasis
validation study
world health organization
Chlamydia
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_1611020X_v28_n1_p9_RiveraBarroto
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Ejemplares similares