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Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.
Alvarez G, Aguirre-López B, Varela J, Cabrera M, Merlino A, López GV, Lavaggi ML, Porcal W, Di Maio R, González M, Cerecetto H, Cabrera N, Pérez-Montfort R, de Gómez-Puyou MT, Gómez-Puyou A. Alvarez G, et al. Eur J Med Chem. 2010 Dec;45(12):5767-72. doi: 10.1016/j.ejmech.2010.09.034. Epub 2010 Sep 19. Eur J Med Chem. 2010. PMID: 20889239
A Nature-Inspired Design Yields a New Class of Steroids Against Trypanosomatids.
Aguilera E, Perdomo C, Espindola A, Corvo I, Faral-Tello P, Robello C, Serna E, Benítez F, Riveros R, Torres S, Vera de Bilbao NI, Yaluff G, Alvarez G. Aguilera E, et al. Molecules. 2019 Oct 22;24(20):3800. doi: 10.3390/molecules24203800. Molecules. 2019. PMID: 31652542 Free PMC article.
Preclinical Studies in Anti-Trypanosomatidae Drug Development.
Perdomo C, Aguilera E, Corvo I, Faral-Tello P, Serna E, Robello C, Wilkinson SR, Yaluff G, Alvarez G. Perdomo C, et al. Pharmaceuticals (Basel). 2021 Jul 5;14(7):644. doi: 10.3390/ph14070644. Pharmaceuticals (Basel). 2021. PMID: 34358070 Free PMC article.
Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro.
Ruatta SM, Prada Gori DN, Fló Díaz M, Lorenzelli F, Perelmuter K, Alberca LN, Bellera CL, Medeiros A, López GV, Ingold M, Porcal W, Dibello E, Ihnatenko I, Kunick C, Incerti M, Luzardo M, Colobbio M, Ramos JC, Manta E, Minini L, Lavaggi ML, Hernández P, Šarlauskas J, Huerta García CS, Castillo R, Hernández-Campos A, Ribaudo G, Zagotto G, Carlucci R, Medrán NS, Labadie GR, Martinez-Amezaga M, Delpiccolo CML, Mata EG, Scarone L, Posada L, Serra G, Calogeropoulou T, Prousis K, Detsi A, Cabrera M, Alvarez G, Aicardo A, Araújo V, Chavarría C, Mašič LP, Gantner ME, Llanos MA, Rodríguez S, Gavernet L, Park S, Heo J, Lee H, Paul Park KH, Bollati-Fogolín M, Pritsch O, Shum D, Talevi A, Comini MA. Ruatta SM, et al. Front Pharmacol. 2023 Jun 22;14:1193282. doi: 10.3389/fphar.2023.1193282. eCollection 2023. Front Pharmacol. 2023. PMID: 37426813 Free PMC article.
43 results