Molecular docking is a theoretical simulation method based on bioinformatics, which studies the interaction between molecules (such as ligands and receptors), and predicts their binding modes and affinity via a computer platform. This technology acts as a promising mean in medicinal chemistry such as structurebased rational drug design, which is accepted by researchers in the scientific community. During recent years, various fundamental studies involving biomolecular interaction in the food matrix have gradually emerged. The remarkable advantages of molecular docking such as predicting experiments are attracting increasing attention for its application potential in various fields. This review presents the theory and software development of molecular docking, and emphasises its application in the field of food science, including nutritional components and food safety. Moreover, the operational mechanisms of molecular docking are further summarised in this review.

The increasing demand for high food quality and safety, and concerns of environment sustainable development have been encouraging researchers in the food industry to exploit the robust and green biodegradable nanocomposites, which provide new opportunities and challenges for the development of nanomaterials in the food industry. This review paper aims at summarizing the recent three years of research findings on the new development of nanomaterials for food packaging. Two categories of nanomaterials (i.e., inorganic and organic) are included. The synthetic methods, physical and chemical properties, biological activity, and applications in food systems and safety assessments of each nanomaterial are presented. This review also highlights the possible mechanisms of antimicrobial activity against bacteria of certain active nanomaterials and their health concerns. It concludes with an outlook of the nanomaterials functionalized in food packaging.

Sirtuins (SIRTs) are nicotinamide adenine dinucleotide (NAD + )-dependent protein deacetylases, which regulate important biological processes ranging from apoptosis, age-associated pathophysiologies, adipocyte and muscle differentiation, and energy expenditure to gluconeogenesis. Very recently, sirtuin 5 (SIRT5) has received considerable attention due to that it was found to have weak deacetylase activity but strong desuccinylase, demalonylase and deglutarylase activities, and it was also found to be associated with several human diseases such as cancer, Alzheimer's disease, and Parkinson's disease. In this review, we for the first time summarized the structure characteristics, known peptide and small-molecule inhibitors of SIRT5, extracted some clues from current available information and introduced some feasible, practical in silico methods, which might be useful in further efforts to develop new SIRT5 inhibitors.Sirtuin, SIRT5 inhibitor, crystal structure, small-molecule inhibitors, computer-aided drug design Citation:Yang, L., Ma, X., He, Y., Yuan, C., Chen, Q., Li, G., and Chen, X. (2017). Sirtuin 5: a review of structure, known inhibitors and clues for developing new inhibitors. Sci China Life Sci 60, 249-256.

Highly efficient antimicrobial agents with low toxicity and resistance have been enthusiastically pursued to address public concerns on microbial contamination in food. Silver nanoclusters (AgNCs) are known for their ultrasmall sizes and unique optical and chemical properties. Despite extensive studies of AgNCs for biomedical applications, previous research on their application as antimicrobials for food applications is very limited. Here, for the first time, by incorporating AgNCs (∼2 nm in diameter) into zein films that are widely used as food packaging materials, we developed a novel coating material with potent antimicrobial activity, low toxicity to human cells, and low potential to harm the environment. In addition, we systematically evaluated the antimicrobial activities and cytotoxicity of AgNCs-embedded zein films and compared them to zein films embedded with AgNO 3 or Ag nanoparticles with diameters of 10 and 60 nm (AgNP10 and AgNP60, respectively). At equivalent silver concentrations, AgNCs and AgNO 3 solutions exhibited considerably higher antimicrobial activities than those of AgNP10 and AgNP60 solutions. Moreover, AgNCs exhibited less cytotoxicity to human cells than AgNO 3 , with a half maximal inhibitory concentration (IC 50) of 34.68 μg/mL for AgNCs, compared to 9.14 μg/mL for AgNO 3. Overall, the novel AgNCs coating developed in this research has great potential for antimicrobial applications in food packaging materials due to its high antimicrobial efficacy, ultrasmall size, and low cytotoxicity.