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Cisplatin often shows the drug resistance which could limit the chemotherapeutic efficacy. Thus, it is necessary to develop anticancer agents against cisplatin-resistant cancer cells. To identify pharmacophores exhibiting the cell growth inhibitory effect against cisplatin-resistant A2780/Cis ovarian cancer cells, we prepared 35 synthetic polyphenols bearing naphthalene skeleton including naphthalenyl chalcones, naphthalenyl flavones, naphthalenyl flavanones, 4,5-dihydro-1 H -pyrazol-3-yl)naphthalen-2-ols, naphthalen-1-yl- N -phenyl-4,5-dihydro-1 H -pyrazole-1-carbothioamides, and 4,5-dihydro-1 H -pyrazol-3-yl)naphthalen-1-ol. The correlation between their inhibitory effects and structural properties was evaluated using hologram quantitative structure activity relationship and comparative molecular field analysis. The pharmacophores derived here can lead us to design new polyphenols against the growth of cisplatin-resistant cells.

Wide range of various biological activities of chalcones motivated the syntheses of three chalcone derivatives. The conversion to flavanones was confirmed by 1H- nuclear magnetic resonance (NMR) spectral data. The reason for the aforesaid conversion was elucidated based on the potential energy values of the derivatives, calculated using the density functional theory based on the Hatree-Fock method with B3LYP functional and the 6–31G* basis set. The rate constants of the derivatives were obtained from the NMR data, and the relevant transition states were considered to explain the relationship between the rate constants and the potential energy differences. These findings can help us predict the molecular stabilities of flavonoids, including chalcones and flavanones, using density functional theory calculations.

Brown blotch disease in mushrooms is caused by Pseudomonas tolaasin, which produces a peptide toxin, tolaasin I, and zinc ion inhibits the channel formed by tolaasin I. NMR experiments revealed that zinc, sodium, and calcium ions can bind to tolaasin I and their binding position on tolaasin I is the lactone ring.