Bioinformatics and Computer Simulation Approaches to the Discovery and Analysis of Bioactive Peptides.

The traditional process of separating and purifying bioactive peptides is laborious and time-consuming. Using a traditional process to identify is difficult, and there is a lack of fast and accurate activity evaluation methods. How to extract bioactive peptides quickly and efficiently is still the focus of bioactive peptides research. In order to improve the present situation of the research, bioinformatics techniques and peptidome methods are widely used in this field. At the same time, bioactive peptides have their own specific pharmacokinetic characteristics, so computer simulation methods have incomparable advantages in studying the pharmacokinetics and pharmacokineticpharmacodynamic correlation models of bioactive peptides. The purpose of this review is to summarize the combined applications of bioinformatics and computer simulation methods in the study of bioactive peptides, concentrating on the role of bioinformatics in simulating the selection of enzymatic hydrolysis and precursor proteins, activity prediction, molecular docking, physicochemical properties, and molecular dynamics. Our review shows that new bioactive peptide molecular sequences with high activity can be obtained by computer-aided design. The significance of the pharmacokinetic-pharmacodynamic correlation model in the study of bioactive peptides is emphasized. Finally, some problems and future development potential of bioactive peptides binding new technologies are being prospected.

Inhibition of Fusarium graminearum by silver nanoparticles / 生物工程学报

Silver nanoparticles were prepared by chemical reduction. Fusarium graminearum was used as the test strain. To study the inhibition of F. graminearum by silver nanoparticles, we studied the activities of protective enzymes superoxide dismutase (SOD), peroxidase (POD) and catalase (CAT), and the contents of osmotic adjustment substances soluble protein, soluble sugar and malonaldehyde (MDA) in F. graminearum. Silver nanoparticles inhibited F. graminearum and the inhibitory effect was increased with the concentration of silver nanoparticles. The inhibition rate of 10 μg/mL silver nanoparticles was more than 90% and EC50 was 0.59 μg/mL. When the treating time prolonged (2, 4, 6, 8 and 10 h), the activity of SOD, CAT and POD increased firstly and then declined. SOD, POD and CAT reached the maximum at 4 hours, and decreased to minimum at 10 hours. Silver nanoparticles also increased the MDA content and reduced the soluble sugar and protein contents in pathogens. These results indicated that cell integrity was destroyed in the presence of silver. This may be one of the inhibiting mechanisms of silver nanoparticles on the growth of F. graminearum.