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Biological Activities and ADMET-Related Properties of Novel Set of Cinnamanilides

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F20%3A73604497" target="_blank" >RIV/61989592:15310/20:73604497 - isvavai.cz</a>

  • Result on the web

    <a href="https://www.mdpi.com/1420-3049/25/18/4121/htm" target="_blank" >https://www.mdpi.com/1420-3049/25/18/4121/htm</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.3390/molecules25184121" target="_blank" >10.3390/molecules25184121</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Biological Activities and ADMET-Related Properties of Novel Set of Cinnamanilides

  • Original language description

    A series of nineteen novel ring-substitutedN-arylcinnamanilides was synthesized and characterized. All investigated compounds were tested againstStaphylococcus aureusas the reference strain, two clinical isolates of methicillin-resistantS. aureus(MRSA), andMycobacterium tuberculosis. (2E)-N-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide showed even better activity (minimum inhibitory concentration (MIC) 25.9 and 12.9 mu M) against MRSA isolates than the commonly used ampicillin (MIC 45.8 mu M). The screening of the cell viability was performed using THP1-Blue (TM) NF-kappa B cells and, except for (2E)-N-(4-bromo-3-chlorophenyl)-3-phenylprop-2-enamide (IC(50)6.5 mu M), none of the discussed compounds showed any significant cytotoxic effect up to 20 mu M. Moreover, all compounds were tested for their anti-inflammatory potential; several compounds attenuated the lipopolysaccharide-induced NF-kappa B activation and were more potent than the parental cinnamic acid. The lipophilicity values were specified experimentally as well. In addition, in silico approximation of the lipophilicity values was performed employing a set of free/commercial clogP estimators, corrected afterwards by the corresponding pK(a)calculated at physiological pH and subsequently cross-compared with the experimental parameters. The similarity-driven property space evaluation of structural analogs was carried out using the principal component analysis, Tanimoto metrics, and Kohonen mapping.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    30107 - Medicinal chemistry

Result continuities

  • Project

  • Continuities

    S - Specificky vyzkum na vysokych skolach

Others

  • Publication year

    2020

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    MOLECULES

  • ISSN

    1420-3049

  • e-ISSN

  • Volume of the periodical

    25

  • Issue of the periodical within the volume

    18

  • Country of publishing house

    CH - SWITZERLAND

  • Number of pages

    23

  • Pages from-to

    "4121-1"-"4121-23"

  • UT code for WoS article

    000580723700001

  • EID of the result in the Scopus database

    2-s2.0-85090844501