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外文期刊>Acta crystallographica. Section D, Structural biology
>Hydrogen‐bond‐driven supramolecular helical assembly of a coumarin‐substituted phthalonitrile derivative: synthesis and in vitro anticancer activity against colorectal adenocarcinoma
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Hydrogen‐bond‐driven supramolecular helical assembly of a coumarin‐substituted phthalonitrile derivative: synthesis and in vitro anticancer activity against colorectal adenocarcinoma
Phthalonitrile derivatives are generally reported to crystallize in space groups P21/c and P1 in the literature. In this study, 7‐hydroxy‐4,8‐dimethyl‐3‐pentylcoumarin (2) and its phthalonitrile derivative (2d) were crystallized; 2d crystallized in the rare trigonal space group R3. In the phthalonitrile derivative (2d), weak C—H…O hydrogen‐bonding interactions promoted the formation of supramolecular double helices, and these supramolecular P and M double helices came together to form a honeycomb‐like architectural motif involving one‐dimensional tubular channels. In silico molecular‐docking studies were performed to support the experimental processes and the results agree with each other. In vitro studies of compounds 2 and 2d were performed in LoVo colorectal adenocarcinoma and CCD18Co healthy human cell lines using flow cytometry. For compounds 2 and 2d, there was a statistically significant increase (p < 0.001) in both early and late apoptosis with respect to the control in a dose‐dependent manner.
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