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Archiv der Pharmazie(1)
Bioorganic and Medicinal Chemistry Letters(1)
Current Drug Discovery Technologies(1)
Journal of Pharmacy and Pharmaceutical Sciences(1)
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A computer-based approach to the rational discovery of new trichomonacidal drugs by atom-type linear indices
ArticleAbstract: Computational approaches are developed to design or rationally select, from structural databases, nePalabras claves:Atom-Based Linear Index, Cytocidal activity, heterocycles, LDA-Based QSAR Model, Lead Antitrichomonal Compound, ToMoCoMD-CARDD software, Trichomonacidal Activity, Virtual ScreeningAutores:Arán V.J., García-Sánchez R.N., García-Trevijano J.A.E., Gómez-Barrio A., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Montero-Torres A., Nogal-Ruiz J.J., Ochoa C., Pereira D.M., Torrens F., Yovani Marrero-PonceFuentes:googlescopusA linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: Outcomes of in silico studies supported by experimental results
ArticleAbstract: A computational (virtual) screening test to identify potential trichomonacidals has been developed.Palabras claves:Atom-based quadratic indices, Cytotoxic properties, LDA-based model, ToMoCoMD-CARDD software, TrichomonacidalAutores:Arán V.J., García-Sánchez R.N., García-Trevijano J.A.E., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Montero-Torres A., Nogal-Ruiz J.J., Ochoa C., Pereira D.M., Yovani Marrero-PonceFuentes:googlescopusQuantitative structured antitumoral-activity relationships of thiadiazinthione derivatives using the novel hybrid molecular index <sup>p</sup>MR<inf>χ</inf>
ArticleAbstract: Purpose. The recently defined molarrefractivity-partition index was applied to a family of 1,3,5- thPalabras claves:Autores:Carrasco R., Hortensia Rodriguez Cabrera, Ochoa C., Padrón J.A., Perez-Pineiro R., Suárez Navarro M.Fuentes:googlescopusSynthesis and antiparasitic properties of new 4-N-benzylamino-4-hetarylbut- 1-enes
ArticleAbstract: New derivatives of 4-N-benzylamino-4-hetarylbut-1-ene containing a pyridyl nucleus were synthesizedPalabras claves:Antichagasic, Benzazepines, Homoallylamines, N-oxides, Trichomonacidal propertiesAutores:Bahsas A., Fernández Portillo C., Gómez-Barrio A., Juan Manuel Amaro-Luis, Kouznetsov V.V., Martínez J., Montero Pereira D., Muelas Serrano S., Nogal-Ruiz J.J., Ochoa C., Ochoa Puentes C., Rivero Castro J., Stashenko E.E.Fuentes:scopus