163083-11-2Relevant academic research and scientific papers
Synthesis, molecular docking, and in silico ADME/Tox profiling studies of new 1-aryl-5-(3-azidopropyl)indol-4-ones: Potential inhibitors of SARS CoV-2 main protease
Domínguez-Villa, Francisco Xavier,Durán-Iturbide, Noemi Angeles,ávila-Zárraga, José Gustavo
, (2020/12/07)
The virus SARS CoV-2, which causes the respiratory infection COVID-19, continues its spread across the world and to date has caused more than a million deaths. Although COVID-19 vaccine development appears to be progressing rapidly, scientists continue th
De novo design of non-coordinating indolones as potential inhibitors for lanosterol 14-α-demethylase (CYP51)
Gonzalez-Chavez, Rodolfo,Martinez, Roberto,Torre-Bouscoulet, Maria Eugenia,Gallo, Marco,Gonzalez-Chavez, Marco Martin
, p. 16 - 24 (2014/01/23)
The development of antifungal drugs that inhibit lanosterol 14-α-demethylase (CYP51) via non-covalent ligand interactions is a strategy that is gaining importance. A series of novel tetraindol-4-one derivatives with 1- and 2-(2,4-substituted phenyl) side chains were designed and synthesized based on the structure of CYP51 and fluconazole. The antifungal activities of these derivatives against eight human pathogenic filamentous fungi and yeast strains were evaluated in vitro by measuring the minimal inhibitory concentrations. Nearly all tested compounds 8a-g displayed activity against Candida tropicalis, Candida guilliermondii and Candida parapsilosis with a minimum inhibitory concentration (MIC) value until 8 μg mL-1, on the other hand compounds 7a-g showed activity against Aspergillus fumigatus with a MIC value of 31.25 μg mL-1. A molecular modeling study of the binding interactions between compounds 6, 7d, 8g and the active site of MtCYP51 was conducted based on the computational docking results.
Tetrahydropyrrolo[3,2-c]azepin-4-ones as a new class of cytotoxic compounds
Martínez, Roberto,ávila, J. Gustavo,Ramírez, Ma. Teresa,Pérez, Araceli,Martínez, ángeles
, p. 4007 - 4016 (2007/10/03)
Pyrroloazepinones 8a-j and 9a-j were designed by structural modification of lead compound 3. These compounds were tested on five tumor cell lines to determine the role of the azeto ring and the 2-methyl substituent in the cytotoxicity of compound 3. Our r
