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Arzneimittel-Forschung/Drug Research(2)
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scopus(8)
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:googlescopusNon-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds
ArticleAbstract: In order to explore the ability of non-stochastic quadratic indices to encode chemical information iPalabras claves:Antimalarial compounds, Lda, Non-stochastic quadratic index, QSAR, ToMoCoMD-CARDD softwareAutores:Arán V.J., García-Sánchez R.N., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Montero-Torres A., Nogal-Ruiz J.J., Ochoa C., Torrens F., Yovani Marrero-PonceFuentes:googlescopusIn vitro and in vivo assays of 3,5-disubstituted-tetrahydro-2H-1,3,5-thiadiazin-2-thione derivatives against Trypanosoma cruzi
ArticleAbstract: Cytotoxicity assays of 24 new 3,5-disubstituted-tetrahydro-2H-1,3,5-thiadiazin-2-thione derivativesPalabras claves:AMASTIGOTES, Antichagasic drugs, Antitrypanosomal activity assays, Cytotoxicity assays, J774 macrophages, Thiadiazine thione derivativesAutores:García-Trevijano J.A.E., Gómez-Barrio A., Hortensia Rodriguez Cabrera, Muelas S., Ochoa C., Perez-Pineiro R., Suárez Navarro M.Fuentes: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:googlescopusSolid phase synthesis of 3-(5'-carboxypentyl)-5-substituted tetrahydro- 2H-1,3,5-thiadiazin-2-thione derivatives
ArticleAbstract: The solid phase synthesis of 3-(5'-carboxypentyl)-5-substituted tetrahydro-2H-1,3,5-thiadiazin-2-thiPalabras claves:Resins amino acids, solid-phase synthesis, Thiadiazin-2-thionesAutores:Cruz L.J., Garay H.E., Hortensia Rodriguez Cabrera, Molero-Vilchez M.D., Ochoa C., Perez-Pineiro R., Reyes O., Suárez Navarro M.Fuentes:googlescopusStudy on the decomposition products of thiadiazinthione and their anticancer properties
ArticleAbstract: Study of the anticancer properties of thirty-four 3,5-disubstituted-tetrahydro-2H-1,3,5-thiadiazin-2Palabras claves:Anticancer drugs, N,N-Disubstituted tetrahydro-1,3,5-thiadiazin-2-thione derivatives, anticancer properties, decomposition products, synthesisAutores:Ezpelata O., Gonzalez L.J., Hortensia Rodriguez Cabrera, Lopez de Cerain A., Ochoa C., Pérez C., Perez E., Pérez R., Reyes O., Suárez Navarro M.Fuentes:googlescopusSynthesis and antiprotozoan properties of new 3,5-disubstituted- tetrahydro-2H-1,3,5-thiadiazine-2-thione derivatives
ArticleAbstract: In a search for antiprotozoan compounds, 34 new 3,5-disubstituted- tetrahydro-2H-1,3,5-thiadiazine-2Palabras claves:2H-1,3,5-Thiadiazine-2-thione derivatives, Antiprotozoans, In vitro and in vivo studies, Synthesis, Trichomonas vaginalis, TRYPANOSOMA CRUZIAutores:Gómez-Barrio A., Hortensia Rodriguez Cabrera, Martínez R.A., Muclas S., Nogal-Ruiz J.J., Ochoa C., Ochoa E., Perez E., Pérez R., Suárez Navarro M.Fuentes:googlescopus