6 research outputs found

    Exploration of Binding Mechanism of a Potential Streptococcus pneumoniae Neuraminidase Inhibitor from Herbaceous Plants by Molecular Simulation

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    Streptococcus pneumoniae can cause diseases such as pneumonia. Broad-spectrum antibiotic therapy for Streptococcus pneumoniae is increasingly limited due to the emergence of drug-resistant strains. The development of novel drugs is still currently of focus. Abundant polyphenols have been demonstrated to have antivirus and antibacterial ability. Chlorogenic acid is one of the representatives that has been proven to have the potential to inhibit both the influenza virus and Streptococcus pneumoniae. However, for such a potential neuraminidase inhibitor, the interaction mechanism studies between chlorogenic acid and Streptococcus pneumoniae neuraminidase are rare. In the current study, the binding mechanism of chlorogenic acid and Streptococcus pneumoniae neuraminidase were investigated by molecular simulation. The results indicated that chlorogenic acid might establish the interaction with Streptococcus pneumoniae neuraminidase via hydrogen bonds, salt bridge, and cation-π. The vital residues involved Arg347, Ile348, Lys440, Asp372, Asp417, and Glu768. The side chain of Arg347 might form a cap-like structure to lock the chlorogenic acid to the active site. The results from binding energy calculation indicated that chlorogenic acid had strong binding potential with neuraminidase. The results predicted a detailed binding mechanism of a potential Streptococcus pneumoniae neuraminidase inhibitor, which will be provide a theoretical basis for the mechanism of new inhibitors

    Investigation of benzoic acid and sorbic acid in snack foods in Jilin province, China

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    A high-performance liquid chromatography method was applied for the determination of the levels of benzoic acid and sorbic acid in 221 snack food samples, including fruit wine, noodle products, pickled products, baking products, cooked meat products, and bean products. Only two cooked food samples in all food samples have a preservative content exceeding the maximum permitted levels (MPL) laid down by the Standardization Administration of China. Among the food samples from which preservatives were detected, 69.6% of the samples contained one type of preservative and 30.4% of the samples detected two preservatives. Among the geometric mean values of preservatives in different types of foods, the highest is benzoic acid in pickled products (136.6 mg/kg) and sorbic acid in baking products (150.0 mg/kg). No preservatives were detected in bean products. Preservatives in packaged foods (21 of 121 samples, 17.4%) have a higher detection rate than bulk foods (2 of 100 samples, 2%), but each has only one piece that exceeds MPL. On the surface of our research, the amount of preservative added to snack foods in Jilin Province of China is relatively safe
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