TY - JOUR
T1 - Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening
AU - Meneses-Marcel, Alfredo
AU - Marrero-Ponce, Yovani
AU - Ibáñez-Escribano, Alexandra
AU - Gómez-Barrio, Alicia
AU - Escario, José A.
AU - Barigye, Stephen J.
AU - Terán, Enrique
AU - García-Jacas, Cesar R.
AU - MacHado-Tugores, Yanetsy
AU - Nogal-Ruiz, Juan J.
AU - Arán-Redó, Vicente J.
N1 - Publisher Copyright:
© 2018 Newlands Press.
PY - 2018/4
Y1 - 2018/4
N2 - Aim: Metronidazole is the most widely used drug in trichomoniasis therapy. However, the emergence of metronidazole-resistant Trichomonas vaginalis isolates calls for the search for new drugs to counter the pathogenicity of these parasites. Results: Classification models for predicting the antitrichomonas activity of molecules were built. These models were employed to screen antiprotozoal drugs, from which 20 were classified as active. The in vitro experiments showed moderate to high activity for 19 of the molecules at 10 μg/ml, while 3 compounds yielded higher activity than the reference at 1 μg/ml. The 11 most active chemicals were evaluated in vivo using Naval Medical Research Institute (NMRI) mice. Conclusion: Benznidazole showed similar results as metronidazole, and can thus be considered as a potential candidate in antitrichomonas therapy.
AB - Aim: Metronidazole is the most widely used drug in trichomoniasis therapy. However, the emergence of metronidazole-resistant Trichomonas vaginalis isolates calls for the search for new drugs to counter the pathogenicity of these parasites. Results: Classification models for predicting the antitrichomonas activity of molecules were built. These models were employed to screen antiprotozoal drugs, from which 20 were classified as active. The in vitro experiments showed moderate to high activity for 19 of the molecules at 10 μg/ml, while 3 compounds yielded higher activity than the reference at 1 μg/ml. The 11 most active chemicals were evaluated in vivo using Naval Medical Research Institute (NMRI) mice. Conclusion: Benznidazole showed similar results as metronidazole, and can thus be considered as a potential candidate in antitrichomonas therapy.
KW - QSAR
KW - QuBiLS-MAS
KW - ToMoCoMD-CARDD
KW - Trichomonas vaginalis
KW - antitrichomonas
UR - http://www.scopus.com/inward/record.url?scp=85046636224&partnerID=8YFLogxK
U2 - 10.4155/fmc-2016-0211
DO - 10.4155/fmc-2016-0211
M3 - Artículo
C2 - 29589477
AN - SCOPUS:85046636224
SN - 1756-8919
VL - 10
SP - 863
EP - 878
JO - Future Medicinal Chemistry
JF - Future Medicinal Chemistry
IS - 8
ER -