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  • Structure-activity relationships and molecular docking studies of chromene and chromene based azo chromophores [Elektronski vir] : a novel series of potent antimicrobial and anticancer agents
    Afifi, Tarek H. ...
    The design of novel materials with significant biological properties is a main target in drug design research. Chromene compounds represent an interesting medicinal scaffold in drug replacement ... systems. This report illustrates a successful synthesis and characterization of two novel series of chromene compounds using multi-component reactions. The synthesis of the first example of azo chromophores containing chromene moieties has also been established using the same methodology. The antimicrobial activity of the new molecules has been tested against seven human pathogens including two Gm+ve, two Gm-ve bacteria, and four fungi, and the results of the inhibition zones with minimum inhibitory concentrations were reported as compared to reference drugs. All the designed compounds showed significant potent antimicrobial activities, among of them, four potent compounds 4b, 4c, 13e, and 13i showed promising MIC from 0.007 to 3.9 micro g/mL. In addition, antiproliferative analysis against three target cell lines was examined for the novel compounds. Compounds 4a, 4b, 4c, and 7c possessed significant antiproliferative activity against three cell lines with an IC50 of 0.3 to 2 micro g/mL. Apoptotic analysis was performed for the most potent compounds via caspase enzyme activity assays as a potential mechanism for their antiproliferative effects. Finally, the computational 2D QSAR and docking simulations were accomplished for structure-activity relationship analyses.
    Source: EXCLI journal. - ISSN 1611-2156 (Vol. 16, June 19, 2017, str. 868-902)
    Type of material - e-article
    Publish date - 2017
    Language - english
    COBISS.SI-ID - 4366193

    Link(s):

    http://www.excli.de/vol16/Afifi_19062017_proof.pdf
    DOI

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