Anti-COVID-19 mechanism of Anoectochilus roxburghii liquid based on network pharmacology and molecular docking / 药学学报

italic>Anoectochilus roxburghii liquid (spray, a hospital preparation of Wu Mengchao Hepatobiliary Hospital of Fujian Medical University) has shown a good clinical treatment effect during the COVID-19 pandemic, but its material basis and mechanism of action are still unclear. In this study, network pharmacology and molecular docking methods were used to predict the molecular mechanism of A. roxburghii liquid against COVID-19, and pharmacodynamic experiments in vitro were conducted to study the interaction between the current targets with clear preventive and therapeutic effects and the key components of A. roxburghii liquid. UPLC-MS and database were used to compare and analyze the active ingredients in the liquid, and 17 potential active ingredients with good drug-like properties were screened by in vivo pharmacokinetics process in SwissADME database. SwissTargetPrediction and GeneCards were searched to find 93 common targets. Cytoscape 3.8.2 software was used to construct the "component-target" network map, and the Metascape platform was used for gene function annotation and pathway enrichment analysis. It was found that the extract could regulate the positive response to external stimuli, inflammatory response, cytokine production and other biological processes by binding the active ingredients such as isorhamnetin, kaempferol, luteolin, quercetin and apigenin to the common targets (NOS3, MPO, MMP3, etc.), and play an anti-COVID-19 role. In the angiotensin-converting enzyme 2 (ACE2) activity inhibition assay, it was found that the stock solution of A. roxburghii liquid (for spray), and the supernatant after removing polysaccharides (mainly containing flavonoids) could to some extent inhibit the activity of ACE2. Crucially, in the experiment of 2019-nCOV-S pseudovirus infecting HEK-293T-ACE2 cells, we found that A. roxburghii liquid may exert anti-COVID-19 effects by blocking the binding of SARS-CoV-S protein to ACE2.

Corrigendum to “Quantitative determination of multi-class bioactive constituents for quality assessment of ten Anoectochilus, four Goodyera and one Ludisia species in China” Chinese Herbal Medicines 12 (2020) 430–439 (Chinese Herbal Medicines (2020) 12(4) (430–439), (S1674638420300824), (10.1016/j.chmed.2020.07.002)) / 中草药·英文版

The authors regret for the changes in Fig. 6 as follow: [Figure presented] Fig. 6. HPLC-ELSD chromatograms of ten Anoectochilus, four Goodyera and one Ludisia species on AQ-C

A new diphenyl ether from the endophytic fungus Verticillium sp. isolated from Rehmannia glutinosa / 中国天然药物

AIM@#To investigate the chemical constituents of the endophytic fungus Verticillium sp. isolated from Rehmannia glutinosa.@*METHODS@#The compounds were isolated and purified by repeated column chromatography, and their structures were determined on the basis of physicochemical properties and spectral analysis. Their cytotoxic and antifungal activities were evaluated.@*RESULTS@#Ten compounds were obtained and their structures were identified as 2, 4-dihydroxy-2', 6-diacetoxy-3'-methoxy-5'-methyl-diphenyl ether (1), paecilospirone (2), α-acetylorcinol (3), 2-methoxy-1,8-dimethyl-xanthen-9-one (4), 4-hydroxy-α-lapachone (5), enalin A (6), 2,3,4-trimethyl-5,7-dihydroxy-2,3-dihydrobenzofuran (7), 4-hydroxyethyl-phenol (8), 2,4-dihydroxy-3,5,6-trimethyl- methylbenzoate (9), and 3-isopropenyl-(Z)-monomethyl maleate (10).@*CONCLUSIONS@#Compound 1 is a new diphenyl ether, and showed cytotoxic activity against HL-60 cells (IC50 2.24 μg · mL(-1)), and antifungal activities against Candida albicans (MIC 8 μg · mL(-1)) and Aspergillus fumigatus (MIC 16 μg · mL(-1)).

Sonolysis and mineralization of pentachlorophenol by means of varying parameters.

Degradation effect of organic pollutant on pentachlorophenol (PCP) is researched by ultrasound. PCP is treated by low frequency (16 kHz) and high frequency (800 +/- 1 kHz), and bi-frequency. The results of investigation on the ultrasonic destruction of PCP showed that the rate of PCP degradation at the same conditions is the highest at bi-frequency, and the lowest at 16 kHz. In the presence of Fenton type reagent the degradation rate of PCP is the highest at bi-frequency (20.93 times) as compared to the stirring system. This ratio is 4.91 and 1.06 at 800 kHz and 16 kHz, respectively. The studies showed the bi-frequency is an effective method for pollutants degradation, but it is need make further study. Taking 800 kHz for example, under the same conditions, the smaller pH of the solution, the higher is the reaction rate. A similar situation applied to TOC, but the TOC removal lags behind degradation of PCP. This indicated the PCP is not completely mineralized. The ultrasound is somewhat enhanced for degradation of PCP and mineralization with only addition of CuSO4, but the combination of ultrasound and Fenton type reagent is effective method for PCP degradation and mineralization. The rate of PCP degradation and TOC removal appeared to follow pseudo-first-order reaction kinetic law.