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Article(3)
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Current Topics in Medicinal Chemistry(1)
European Journal of Medicinal Chemistry(1)
PLoS ONE(1)
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ODS 3: Salud y bienestar(3)
ODS 9: Industria, innovación e infraestructura(3)
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype
ArticleAbstract: In this report, we propose the combination of computational methods and in vivo primary screening inPalabras claves:Anti-inflammatory compound, Anti-inflammatory database, Atom-based quadratic indices, Computational Screening, Cytotoxicity, In vivo anti-inflammatory assay, lead generation, Learning machine-based QSAR, ToMoCoMD-CARDD software, zebrafishAutores:Arán V.J., Crawford A.D., De Witte P.A.M., Esguerra C.V., Gálvez-Llompart M., García-Domnech R., Giner R.M., María Lorena Cordero-Maldonado, Recio M.C., Siverio-Mota D., Torrens F., Yovani Marrero-PonceFuentes:scopusFishing anti-inflammatories from known drugs: In silico repurposing, design, synthesis and biological evaluation of bisacodyl analogues
ArticleAbstract: Herein is described in silico repositioning, design, synthesis, biological evaluation and structure-Palabras claves:Anti-inflammatory assay, Anti-inflammatory database, Atom-based bilinear indices, Bisacodyl, Diarylmethylpyridines, Repurposing, ToMoCoMD-CARDD softwareAutores:Arán V.J., Crawford A.D., De Witte P.A.M., Dumas F., Ferroud C., Giner R.M., Guerra Y.R., Lerari V., Marín M., Siverio-Mota D., Veítia M.S.I., Vicet-Muro L., Yovani Marrero-PonceFuentes:googlescopusIntegration of Microfractionation, qNMR and Zebrafish Screening for the In Vivo Bioassay-Guided Isolation and Quantitative Bioactivity Analysis of Natural Products
ArticleAbstract: Natural products (NPs) are an attractive source of chemical diversity for small-molecule drug discovPalabras claves:Autores:Bohni N., Crawford A.D., De Witte P.A.M., Esguerra C.V., Kamuhabwa A.R., Maes J., Marcourt L., María Lorena Cordero-Maldonado, Moshi M.J., Munck S., Siverio-Mota D., Wolfender J.L.Fuentes:rraaescopus