Mechanism prediction of Zhikepipa Mixture in the treatment of COVID-19 / 西安交通大学学报(医学版)

【Objective】 To explore the effect of Zhikepipa Mixture on the treatment of COVID-19 through network pharmacology analysis and molecular docking technology. 【Methods】 First, we performed the network pharmacology method to screen active compounds and targets so as to explore the mixture’s potential mechanisms in the treatment of COVID-19. In line with ADME screening index, like oral bioavailability (OB) ≥30% or drug likeness index (DL) ≥0.18, the active compounds against COVID-19 related targets were selected to construct the 'herb-compound-target’ network. Mechanism prediction of Zhikepipa mixture in the treatment of COVID-19 was analyzed by the interaction of the target sites, the bioinformatic annotation, and the metabolic pathway. Then, we used a molecular docking model to evaluate the binding ability between active compounds and 2019-nCoV (SARS-CoV-2) 3-chymotrypsin-like cysteine protease (3CLpro) receptor-binding domain (PBD ID 6LU7), which was involved in mediating viral replication and transcription functions. 【Results】 The'herb-compound-target’ network showed 34 key compounds and 30 disease targets after overlapping with disease targets. The network topology analysis showed that those selected compounds with higher degree would produce marked anti-inflammatory effects by regulating 30 targets like PTGS1, IL1B, IL6, IL10, CXCL8 and JUN. AGE-RAGE signaling pathway, IL-17 signaling pathway, TNF signaling pathway, PI3K-Akt signaling pathway, and MAPK signaling pathway were involved in regulating hepatitis B and diabetic complications. In addition, Folium eriobotryae and Radix stemonae played important roles in the network. The molecular docking results showed that nine compounds were identified with higher docking score rank against 2019-nCoV 3CLpro protease, and most of them were attributed to flavonoids. 【Conclusion】 Zhikepipa Mixture could exhibit both anti-inflammatory and anti-virus actions through multi-component, multi-target, and multi-pathway.

Extraction Optimization by Orthogonal Design and Antioxidant Activity of Total Flavonoids from Hedyotis Diffusa / 中国药师

Objective:To optimize the extraction technology and evaluate antioxidant activity of total flavonoids from Hedyotis dif-fusa. Methods:The content of kaempferol was detected by an HPLC method,and spectrophotometry was used to detect the content of total flavonoids. Results: The optimum extraction conditions were investigated by orthogonal design with the extraction quantities of kaempferol and total flavonoids as the evaluation indices. The antioxidant activities of the extracts were detected based on the clearance of hydroxyl radical and DPPH·model. The optimum extraction conditions were as follows:10-fold amount of 80% methanol and with ultrasonic extraction for 15 min. The clearance rate of 1ml methanol extract for scavenging DPPH· and ·OH was 73.89% and 91.27%,respectively.Conclusion:The optimum technology is stable and feasible for the extraction of Hedyotis diffuse. The extract shows good in vitro antioxidant properties, which provides powerful reference for the future development of relevant antioxidant prod-ucts.

Relationship between Hot & Cold Characteristics and Curcumin Content in Curcumae Longae Rhizoma, Curcumae Radix and Curumae Rhizoma / 中国药师

Objective: To evaluate the cold and hot characteristics of Curcumae longae Rhizoma, Curcumae Radix and Curumae Rhizoma, and study the relationship between the content of curcumin in the three herbs and the hot and cold characteristics.Methods: MTT assay was used to investigate the effect of the three herbs on the growth of SGC-7901 in vitro.Trypan-blue staining was used to analyze the cytotoxicity, and the content of curcumin was detected by HPLC.Results: Curcumae longae Rhizoma and Curumae Rhizoma could promote the proliferation of SGC-7901 at the dose of 5 μg·ml-1 and showed hot characteristics;Curcumae Radix could inhibit the growth and proliferation of SGC-7901 within the concentration range of 5-800 μg·ml-1.Trypan-blue staining showed the three herbs had no cytotoxicity on SGC-7901.The content of curcumin in Curcumae Longae Rhizoma, Curcumae Radix and Curumae Rhizoma was 4.88%, 0.15% and 0.042%, respectively.Conclusion: The content of curcumin in the three herbs affects the hot and cold characteristics, and curcumin may be the important material basis for the hot and cold characteristics.

Optimization of Water Extraction Process for Glycyrrhiza by Central Composite Design/Response Surface Methodology / 中国药师

To optimize the water extraction process for glycyrrhiza. Methods: HPLC was used to determine the con-tents of glycyrrhizic acid and liquiritin. The comprehensive index included the contents of glycyrrhizic acid and liquiritin and the yield of dry extract. The water amount and the extraction time were selected as the independent variables, and the comprehensive index was set as the dependent variable. Design-expert 8. 06 software was used to fit multivariate linear or quadratic multinomial models for the experimental values. Response surface methodology was used to optimize the water extraction process. The prediction was carried out through comparing the observed and predicted values. Results:The regression coefficient of binomial fitting complex model was as high as 0. 979 7. The optimum conditions of extraction process were as follows:12-fold amount of water, extracting 3 times with 90 min for each time. The deviation between the observed and predicted values was -1. 72%. Conclusion: Central composite design-response surface methodology is convenient and highly predictive in optimizing the water extraction process for glycyrrhiza, which can be applied in the further membrane separation and purification.