Objectives: Type-2 diabetes mellitus, caused by impaired secretion of insulin, is becoming one of the health hazardous threats to human lives across the world. Its prevalence is rising with time. In this study, 2750 phytochemicals, that are considered to have great ability to eliminate diseases caused by different viruses and bacteria, are obtained from different medicinal plants and discovery of inhibitors through in silico method was performed against Dipeptidyl peptidase-4 (DPP4).
Method: The pharmacological assessment and pharmacokinetics of phytochemicals, molecular docking and density functional theory (DFT) analysis helped to explore the inhibitory action of phytochemicals against DPP4. Total forty-nine phytochemicals were screened initially to reduce the number of compounds to be analyzed further based on a threshold of binding affinity ≥ -5.5 kcal/mol and were considered for further computational studies to analyze their inhibitory effects for DPP4. For comparison and validation of the results of present study, various previously reported and experimentally validated compounds were docked with the DPP4. For these dockings, binding affinity was predicted and compared with those of phytochemicals to check if these phytochemicals are competent enough to be used as an inhibitor in the treatment of diabetes mellitus in the future.
Results: Only four phytochemicals showed binding affinity greater than those of experimentally validated compounds. These included two phytochemicals from Silybum marianum, i.e. Diprenyleriodictyol and Taxifolin and while other two phytochemicals from Santolina insularis and Erythrina Varigatae i.e. Papraline and Osajin respectively. The reactivity levels for these four phytochemicals with the binding site residues of DPP4 were obtained by DFT based analysis, in which ELUMO, EHOMO and band energy gap were computed.
Conclusion: Based on these results, it is concluded that these four phytochemicals, after passing through in vitro and in vivo validation, can be utilized as potential DPP4 inhibitors as they have strong properties as compared to those of various experimentally validated inhibitors.
Enzyme-modified cheeses are concentrated cheese flavors produced enzymatically from dairy substrates in order to provide an intense source of cheese flavor with broad applications. Lighvan cheese is an Iranian traditional cheese with a pleasant taste and flavor generated after ripening. Therefore, the objective of the present study was to use commercial enzymes to produce enzyme-modified Lighvan cheese made from unripened and immature cheese. In this study, Neutrase (0.05%, 0.15%, and 0.2%) and Flavourzyme (0.05%, 0.1%, and 0.2%) were added to the base mixture. The resulting mixture was stored in an incubator for 24, 72, and 96 h to provide intense cheese flavor. Sensory evaluations of all samples in terms of bitterness, flavor, taste, and general acceptance were also carried out.
The results of the sensory evaluations revealed no significant difference between most of the samples in terms of bitterness, flavor, taste, and general acceptance with respect to the incubation duration and the type and level of the commercial enzymes (p ≤ 0.05). However, the effect of the different concentrations of Flavourzyme on the cheese texture was significant after 24, 72, and 96 h of incubation (p ≤ 0.05). In addition, the effects of the different concentrations of Neutrase on the cheese texture were significant after 96 h of incubation (p ≤ 0.05). Finally, the effect of different concentrations of Flavourzyme on the general acceptance of the samples was significant following 24, 72, and 96 h of incubation (p ≤ 0.05). In general, considering the flavor, taste, texture and general acceptance scores of the enzyme-modified Lighvan cheese samples, the best sample was the sample produced by using 0.1% Neutrase and 0.1% Flavourzyme mixture.
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