Crystal design, spectroscopic analyses and antibacterial study of new carbazate ligands and their Cu(II) complexes

Duarte, Eduardo de Assis; Santiago, Mariana Brentini; Silva, Nagela B.S.; Martins, Carlos Henrique Gomes; Gatto, Claudia C.

doi:10.1016/j.ica.2023.121421

Cited by 3 publications

(2 citation statements)

References 42 publications

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“…The plates were incubated as described previously. The Minimum Bactericidal Concentration (MBC) was determined as the lowest compound concentration that killed > 99.9% of the initial bacteria population, at which no visible bacterial growth occurred [40]. MIC values were assessed by analysis of the color change of the resazurin solution from blue (without metabolic activity) to pink (with metabolic activity) [41].…”

Section: Antibacterial Assaysmentioning

confidence: 99%

In vitro and in silico studies of prenylated phenylpropanoids of green propolis and their derivatives against cariogenic bacteria

Vieira,

Santos,

Souza

et al. 2024

Preprint

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Artepillin C, drupanin, and plicatin B are prenylated phenylpanoids naturally occurring in Brazilian green propolis. In this study, these compounds and eleven derivatives were synthesized and evaluated for their in vitro antimicrobial activity against a representative panel of cariogenic bacteria in terms of their minimum inhibitory concentration (MIC) values. Plicatin B (2) and its hydrogenated derivative 8 (2’,3’,7,8-tetrahydro-plicatin B) were the most active compounds. Plicatin B (2) displayed strong activity against all bacteria tested (MIC = 31.2 μg/mL). On the other hand, compound 8 (2’,3’,7,8-tetrahydro-plicatin A) displayed strong activity against Streptococcus mutans, S. salivarius, S. sobrinus, Lactobacillus paracasei (MIC = 62.5 μg/mL) and S. mitis (MIC = 31.2 μg/mL) as well as a moderate activity against Enterococcus faecalis and S. sanguinis (MIC = 125 μg/mL). In silico studies showed that the complexes formed compound 2 and 8 has energy score values close to those of the native ligands of S. mitis, S. sanguinis, and S. mutans due to the formation of strong hydrogen bonds with the active sites of those bacteria. Moreover, all the estimated physicochemical parameters satisfy the drug-likeness criteria without violating the Lipinski, Veber, and Egan rules, so these compounds are not expected to cause problems with oral bioavailability and pharmacokinetic parameters. Compounds 2 and 8 also have suitable ADME-T parameters, as the online server pkCSM calculates. These results make compounds 2 and 8 good candidates as anticariogenic compounds.

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Section: Antibacterial Assaysmentioning

confidence: 99%

In vitro and in silico studies of prenylated phenylpropanoids of green propolis and their derivatives against cariogenic bacteria

Vieira,

Santos,

Souza

et al. 2024

Preprint

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“…de CBM foram realizados em triplicata. Após a incubação, a CBM foi definido como a concentração de amostra com menor concentração da amostrada capaz de matar a população bacteriana inicial, onde nenhum crescimento bacteriano visível foi observado[115].Os compostos 5 e 6, que apresentaram os resultados nos ensaios antibacterianos mais promissores (ver seção Resultados e Discussão), foram submetidos a estudos por "docking" molecular. Os estudos foram realizados pelo grupo do prof. Rhida Ben Said, do College of Science and Arts da Qassim University, Tunísia.…”

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Avaliação das atividades antibacteriana e antiparasitária de análogos prenilados do artepillin C e estudo de suas reações de fragmentação em fase gasosa por espectrometria de massas sequencial

Vieira

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Salicylaldehyde salicyloyl hydrazone and its copper(II) complex: synthesis, characterization, DFT, optical band gap, antibacterial activity, and molecular docking analysis

Sharma,

Channa,

Jiangnan

et al. 2024

Journal of Coordination Chemistry

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Crystal design, spectroscopic analyses and antibacterial study of new carbazate ligands and their Cu(II) complexes

Cited by 3 publications

References 42 publications

In vitro and in silico studies of prenylated phenylpropanoids of green propolis and their derivatives against cariogenic bacteria

In vitro and in silico studies of prenylated phenylpropanoids of green propolis and their derivatives against cariogenic bacteria

Avaliação das atividades antibacteriana e antiparasitária de análogos prenilados do artepillin C e estudo de suas reações de fragmentação em fase gasosa por espectrometria de massas sequencial

Salicylaldehyde salicyloyl hydrazone and its copper(II) complex: synthesis, characterization, DFT, optical band gap, antibacterial activity, and molecular docking analysis

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