In vitro trichomonacidal activity and preliminary in silico chemometric studies of 5-nitroindazolin-3-one and 3-alkoxy-5-nitroindazole derivatives

Alexandra Ibáñez-EscribanoJosé Antonio Escario


A selection of 1,2-disubstituted 5-nitroindazolin-3-ones (1-19) and 3-alkoxy-5-nitroindazoles substituted at positions 1 (20-24) or 2 (25-39) from our in-house compound library were screened in vitro against the most common curable sexually transmitted pathogen, Trichomonas vaginalis. A total of 41% of the studied molecules (16/39) achieved a significant activity of more than 85% growth inhibition at the highest concentration assayed (100 µg mL(-1)). Among these compounds, 3-alkoxy-5-nitroindazole derivatives 23, 24, 25 and 27 inhibited parasite growth by more than 50% at 10 µg mL(-1). In addition, the first two compounds (23, 24) still showed remarkable activity at the lowest dose tested (1 µg mL(-1)), inhibiting parasite growth by nearly 40%. Their specific activity towards the parasite was corroborated by the determination of their non-specific cytotoxicity against mammalian cells. The four mentioned compounds exhibited non-cytotoxic profiles at all of the concentrations assayed, showing a fair antiparasitic selectivity index (SI > 7·5). In silico studies were performed to predict pharmacokinetic properties, toxicity and drug-score using Molinspiration and OSIRIS computational tools. The current in vitro results supported by...Continue Reading


Mar 10, 2001·The Journal of Infectious Diseases·C C WangJ K Kreiss
Dec 26, 2001·The Journal of Antimicrobial Chemotherapy·I Sullayman AdaguJean-François Rossignol
Jan 18, 2002·Clinical Infectious Diseases : an Official Publication of the Infectious Diseases Society of America·Prashini MoodleyA Willem Sturm
May 31, 2002·Journal of Medicinal Chemistry·Daniel F VeberKenneth D Kopple
Nov 12, 2002·Pharmaceutical Research·Yuan H ZhaoIan Cooper
Sep 17, 2003·Cell Research·Rebecca L DunneJacqueline A Upcroft
Oct 19, 2004·Clinical Microbiology Reviews·Sarah L CudmoreGary E Garber
Apr 6, 2005·Bioorganic & Medicinal Chemistry·Vicente J AránEduardo E Castellano
Nov 2, 2005·European Journal of Medicinal Chemistry·Gabriel Navarrete-VazquezFrancisco Hernández-Luis
Feb 16, 2006·Current Drug Discovery Technologies·Yovani Marrero-PonceAlfredo Meneses-Marcel
Aug 1, 2006·Bioorganic & Medicinal Chemistry·Yovani Marrero-PonceYsaias J Alvarado
Dec 5, 2006·Clinical Infectious Diseases : an Official Publication of the Infectious Diseases Society of America·Barbara Van der Pol
Jan 31, 2007·The Journal of Infectious Diseases·R Scott McClellandJared M Baeten
Jan 29, 2008·American Journal of Obstetrics and Gynecology·Donna J HelmsKimberly A Workowski
Nov 15, 2008·Sexually Transmitted Diseases·Patricia KissingerDavid H Martin
Feb 12, 2009·European Journal of Medicinal Chemistry·Emanuel Hernández-NúñezGabriel Navarrete-Vazquez
Nov 13, 2009·European Journal of Medicinal Chemistry·Lalit KumarGopal Gupta
Dec 7, 2010·Bioorganic & Medicinal Chemistry Letters·Lalit KumarVishnu L Sharma
Feb 25, 2011·The Journal of Biological Chemistry·Belinda S HallShane R Wilkinson
Nov 1, 2011·Antimicrobial Agents and Chemotherapy·Belinda S Hall, Shane R Wilkinson
Dec 7, 2011·Clinical Infectious Diseases : an Official Publication of the Infectious Diseases Society of America·Laura H BachmannKimberly A Workowski
Aug 2, 2012·Memórias do Instituto Oswaldo Cruz·Alexandra Ibáñez EscribanoAlicia Gómez Barrio
Oct 12, 2012·PLoS Pathogens·Michael F SchmidFrazer J Rixon
Jan 18, 2014·Parasitology Research·Cristina Fonseca-BerzalAlicia Gómez-Barrio
Jan 23, 2014·European Journal of Medicinal Chemistry·Beatriz MuroVicente J Arán
May 24, 2014·PLoS Neglected Tropical Diseases·Andrea TrochineCarlos Robello
Jun 20, 2014·PLoS Neglected Tropical Diseases·Valéry RiddeSlim Haddad
Dec 1, 2004·Drug Discovery Today. Technologies·Christopher A Lipinski
Aug 1, 2014·PLoS Neglected Tropical Diseases·Andrea Gloria-SoriaJeffrey R Powell
Aug 12, 2014·Journal of Microbiological Methods·Alexandra Ibáñez-EscribanoJosé Antonio Escario
Oct 3, 2014·PLoS Neglected Tropical Diseases·Renata Sesti-CostaJoão S Silva
Mar 17, 2015·European Journal of Medicinal Chemistry·Alexandra Ibáñez-EscribanoVicente J Arán


Mar 28, 2016·European Journal of Medicinal Chemistry·Cristina Fonseca-BerzalVicente J Arán
Feb 9, 2021·Bioorganic & Medicinal Chemistry Letters·Alexandra Ibáñez-EscribanoAlicia Gómez-Barrio

Related Concepts

Antitrichomonal Agents
Cell Survival
Cercopithecus tantalus
In Silico
Structure-Activity Relationship

Related Feeds


Antiparasitics are medications which are indicated for the treatment of parasitic diseases. Discover the latest research on antiparasitics here.