The synthesis, anti-inflammatory and antimicrobial activity evaluation of novel thioanalogs of 3,4-dihydrothiopyrimidin-2(1H)-one derivatives of N-aryl urea

Novel acyclic and cyclic merocyanine dyes derived from the nucleu of furo [(3,2-d) pyrazole; ( d 2 , 3 )imidazole]were prepared. The electronic visible absorptionspectra of all the synthesized new cyanine dyes were examined in 95% ethanolsolution to evaluate their photosensitization properties. Antibacterial andantifungal activities for some selected dyes were tested against various bacterialand fungal strains (Escherichia coli, Staphylococcus aureus, Aspergillus flavus andCandida albicans) to evaluate their antimicrobial activity. Structural identificationwas carried out via elemental analysis, visible spectra, IR and 1H NMRspectroscopic data.

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QSAR Analysis of Selected Antimicrobial Structures Belonging to Nitro-derivatives of Heterocyclic Compounds

Letters in Drug Design & Discovery ◽

10.2174/1570180815666181004112947 ◽

2020 ◽

Vol 17 (2) ◽

pp. 214-225 ◽

Cited By ~ 3

Author(s):

Piotr Kawczak ◽

Leszek Bober ◽

Tomasz Bączek

Keyword(s):

Antimicrobial Activity ◽

Heterocyclic Compounds ◽

Molecular Descriptors ◽

Microbiological Activity ◽

Activity Data ◽

Qsar Analysis ◽

Qsar Models ◽

Nitro Derivatives ◽

Semi Empirical ◽

Derivatives Of

Background: Nitro-derivatives of heterocyclic compounds were used as active agents against pathogenic microorganisms. A set of 4- and 5-nitroimidazole derivatives exhibiting antimicrobial activity was analyzed with the use of Quantitative Structure-Activity Relationships (QSAR) method. The study included compounds used both in documented treatment and those described as experimental. Objective: The purpose of this study was to demonstrate the common and differentiating characteristics of the above-mentioned chemical compounds alike physicochemically as well as pharmacologically based on the quantum chemical calculations and microbiological activity data. Methods: During the study PCA and MLR analysis were performed, as the types of proposed chemometric approach. The semi-empirical and ab initio level of in silico molecular modeling was performed for calculations of molecular descriptors. Results: QSAR models were proposed based on chosen descriptors. The relationship between the nitro-derivatives structure and microbiological activity data was able to class and describe the antimicrobial activity with the use of statistically significant molecular descriptors. Conclusion: The applied chemometric approaches revealed the influential features of the tested structures responsible for the antimicrobial activity of studied nitro-derivatives.

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Novel Derivatives of 4-Methyl-1,2,3-Thiadiazole-5-Carboxylic Acid Hydrazide: Synthesis, Lipophilicity, and In Vitro Antimicrobial Activity Screening

Applied Sciences ◽

10.3390/app11031180 ◽

2021 ◽

Vol 11 (3) ◽

pp. 1180

Author(s):

Kinga Paruch ◽

Łukasz Popiołek ◽

Anna Biernasiuk ◽

Anna Berecka-Rycerz ◽

Anna Malm ◽

...

Keyword(s):

Antimicrobial Activity ◽

Carboxylic Acid ◽

Bacterial Infections ◽

Acid Hydrazide ◽

Antimicrobial Effect ◽

In Vitro Antimicrobial Activity ◽

Research Goal ◽

New Compounds ◽

Derivatives Of

Bacterial infections, especially those caused by strains resistant to commonly used antibiotics and chemotherapeutics, are still a current threat to public health. Therefore, the search for new molecules with potential antimicrobial activity is an important research goal. In this article, we present the synthesis and evaluation of the in vitro antimicrobial activity of a series of 15 new derivatives of 4-methyl-1,2,3-thiadiazole-5-carboxylic acid. The potential antimicrobial effect of the new compounds was observed mainly against Gram-positive bacteria. Compound 15, with the 5-nitro-2-furoyl moiety, showed the highest bioactivity: minimum inhibitory concentration (MIC) = 1.95–15.62 µg/mL and minimum bactericidal concentration (MBC)/MIC = 1–4 µg/mL.

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