《In silico evaluation of the antibacterial and modulatory activity of lapachol and nor-lapachol derivates》 was written by Figueredo, Fernando Gomes; Ramos, Ingrid T. L.; Paz, Josinete A.; Silva, Tania M. S.; Camara, Celso A.; Oliveira-Tintino, Cicera Datiane de Morais; Relison Tintino, Saulo; Maia de Farias, Pablo Antonio; Coutinho, Henrique Douglas Melo; Fonteles, Marta Maria de F.. Category: alcohols-buliding-blocks And the article was included in Microbial Pathogenesis in 2020. The article conveys some information:
To investigate pharmacol. properties of 2-(2-hydroxyethylamine)-3-(3-methyl-2-butenyl)-1,4-dihydro-1,4-naphthalenedione, 2-(2-hydroxy-ethylamine)-3-(2-methyl-propenyl)-[1,4]naphthoquinone and 2-(3-hydroxy-propylamine)-3-(3-methyl-2-butenyl)-[1,4]naphthoquinone using computational prediction models, in addition to evaluating the in vitro antibacterial and modulatory activity of these compounds against bacterial ATCC strains and clin. isolates. The substances were synthesized from 2-hydroxy-quinones, lapachol and nor-lapachol obtaining the corresponding 2-methoxylated derivatives via di-Me sulfate alkylation in a basic medium, these then reacted chemoselectively with 2-ethanolamine and 3-propanolamine to form the corresponding amino alcs. The antibacterial activity and modulatory activity of the substances were assayed by broth microdilution method to determine MIC. The mol. structures were analyzed using the ChEMBL database to predict possible pharmacol. targets, which pointed to the mol. 2- (2-hydroxy-ethylamine)-3-(2-methyl-propenyl)-[1,4]naphthoquinone as a probable antibacterial agent for the proteins Replicative DNA helicase and RecA. The compounds had low mol. weight and a small number of rotatable bonds. The MICs of the substances were not clin. significant, however, the association with gentamicin and amikacin reduced MICs of these antibiotics. Combination of these substances with aminoglycosides may be therapeutic alternative to bacterial resistance and reduction of side effects. In the experimental materials used by the author, we found 3-Aminopropan-1-ol(cas: 156-87-6Category: alcohols-buliding-blocks)
3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Category: alcohols-buliding-blocks
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