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Anti-inflammatory activity and cheminformatics analysis of new potent 2-substituted 1-methyl-5-nitroindazolinones
ArticleAbstract: After the identification of the anti-inflammatory properties of VA5-13l (2-benzyl-1- methyl-5-nitroiPalabras claves:Anti-inflammatory compound, Nitroindazolinones, SARANEA software, Structure-activity relationship, TPA-induced mouse ear edema, zebrafishAutores:Andújar I., Arán V.J., Crawford A.D., De Witte P.A.M., Díaz-Mendoza C., Giner R.M., Manjarrez G., María Lorena Cordero-Maldonado, Pérez-Jiménez F., Siverio-Mota D., Veítia M.S.I., Vicet-Muro L., Yovani Marrero-PonceFuentes:scopusDevelopment of an in silico model of DPPH free radical scavenging capacity: Pbkp_rediction of antioxidant activity of coumarin type compounds
ArticleAbstract: A quantitative structure-activity relationship (QSAR) study of the 2,2-diphenyl-l-picrylhydrazyl (DPPalabras claves:antioxidant, artificial neural networks, coumarin, Dpph, Free radical scavenger, MLP, QSARAutores:Jorge E.G., Rayar A.M., Rodríguez M.E.J., Stephen Jones Barigye, Veítia M.S.I.Fuentes: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:googlescopus