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Two new guaiane sesquiterpenoids, (1 β,5 β)-1-hydroxyguaia-4(15),11(13)-dieno-12,5-lactone ( 1) and 1,5-epoxy-4-hydroxyguai-11(13)-en-12-oic acid ( 2), together with five known compounds, rupestonic acid ( 3), strobilactone A ( 4), antiquorin ( 5), isosclerone ( 6), and 5-hydroxy-2′,3′,4′,7,8-pentamethoxyflavone ( 7), were isolated from a 95% EtOH extract of Artemisia rupestris. Compounds 1 and 2 are rare examples of guaiane sesquiterpenoids, incorporating a 12,5-lactone group or featuring a 1,5-epoxy ring, respectively. The structures of 1 and 2 were identified by various spectroscopic methods. Compounds 1, 4, and 5 exhibited moderate cytotoxic activities against the human lung cancer 95-D cell line with IC50 values of 11.3, 19.8, and 34.5 μ M, respectively. [ABSTRACT FROM AUTHOR]

Pueraria lobata flower is a medicinal herb for treating intoxication, hepatic, and gastrointestinal tract lesions induced by alcohol. This study aims to investigate the isoflavonoid glycosides in P. lobata flowers. Two new isoflavone compounds were isolated from the extract of P. lobata flowers. Their structures were determined to be 5,6,7,4'-tetrahydroxyisoflavone-6,7-di-O-β-d-glucopyranoside and 5,6,7-trihydroxy-4'-methoxyisoflavone-6,7-di-O-β-d-glucopyranoside on the basis of spectroscopic means including HR-ESI-MS, UV, IR, 1H, and 13C NMR. [ABSTRACT FROM AUTHOR]

Since the outbreak of 2019-nCoV, the epidemic has developed rapidly and the situation is grim. LANCET figured out that the 2019-nCoV is closely related to "cytokine storm". "Cytokine storm" is an excessive immune response of the body to external stimuli such as viruses and bacteria. As the virus attacking the body, it stimulates the secretion of a large number of inflammatory factors: interleukin(IL), interferon(IFN), C-X-C motif chemokine(CXCL) and so on, which lead to cytokine cascade reaction. With the exudation of inflammatory factors, cytokines increase abnormally in tissues and organs, interfering with the immune system, causing excessive immune response of the body, resulting in diffuse damage of lung cells, pulmonary fibrosis, and multiple organ damage, even death. Arachidonic acid(AA) metabolic pathway is principally used to synthesize inflammatory cytokines, such as monocyte chemotactic protein 1(MCP-1), tumor necrosis factor(TNF), IL, IFN, etc., which is closely related to the occurrence, development and regression of inflammation. Therefore, the inhibition of AA metabolism pathway is benefit for inhibiting the release of inflammatory factors in the body and alleviating the "cytokine storm". Based on the pharmacophore models of the targets on AA metabolic pathway, the traditional Chinese medicine database 2009(TCMD 2009) was screened. The potential herbs were ranked by the number of hit molecules, which were scored by pharmacophore fit value. In the end, we obtained the potential active prescriptions on "cytokine storm" according to the potential herbs in the "National novel coronavirus pneumonia diagnosis and treatment plan(trial version sixth)". The results showed that the hit components with the inhibitory effect on AA were magnolignan Ⅰ, lonicerin and physcion-8-O-β-D-glucopy-ranoside, which mostly extracted from Magnoliae Officinalis Cortex, Zingiberis Rhizoma Recens, Lonicerae Japonicae Flos, Rhei Radix et Rhizoma, Salviae Miltiorrhizae Radix et Rhizoma, Scutellariae Radix, Gardeniae Fructus, Ginseng Radix et Rhizoma, Arctii Fructus, Dryopteridis Crassirhizomatis Rhizoma, Paeoniaeradix Rubra, Dioscoreae Rhizoma. Finally the anti-2019-nCoV prescriptions were analyzed to obtain the potential active prescriptions on AA metabolic pathway, Huoxiang Zhengqi Capsules, Jinhua Qinggan Granules, Lianhua Qingwen Capsules, Qingfei Paidu Decoction, Xuebijing Injection, Reduning Injection and Tanreqing Injection were found that may prevent 2019-nCoV via regulate cytokines. This study intends to provide reference for clinical use of traditional Chinese medicine to resist new coronavirus.

With the rapid outbreak of COVID-19, traditional Chinese medicine(TCM) has been playing an active role against the epidemic. However, the screening of TCM is limited by the development cycle and laboratory conditions, which greatly limits the screening speed. This study established optimization docking models and virtual screening to discovery potential active herbs for the prevention and treatment of the novel coronavirus based on molecular docking technology. The crystal structures of 3 CL protease(Mpro) and papain-like protease(PLP) were obtained from PDB database and homologous modeling respectively, and were used to conduct virtual screening of TCMD 2009 database by CDOCKER program. The ingredients scored in the top 100 were selected respectively, and the candidate herbs were ranked by the numbers of hit molecules. Based on Mpro inhibitors screening, 12 322 potential active components were obtained, and the representative active components included aster pentapeptide A, ligustrazine, salvianolic acid B, etc., and Zingiberis Rhizoma Recens, Asteris Radix et Rhizoma, Notoginseng Radix et Rhizoma, Chuanxiong Rhizoma, Salviae Miltiorrhizae Radix et Rhizoma, Zingiberis Rhizoma, Dianthi Herba, Rhei Radix et Rhizoma, Cistanches Herba were obtained. While 11 294 potential active ingredients were obtained by PLP inhibitor screening, representative active ingredients included gingerketophenol, ginkgol alcohol, ferulic acid, etc., and Codonopsis Radix, Notopterygii Rhizoma et Radix, Zingiberis Rhizoma Recens, Ginkgo Semen, Chuanxiong Rhizoma, Trichosanthis Fructus, Paeoniae Radix Alba, Psoraleae Fructus, Sophorae Flavescentis Radix, Notoginseng Radix et Rhizoma, Angelicae Sinensis Radix were chosen. By combining the diagnosis and treatment scheme of Hunan province's and angiotensin converting enzyme 2(ACE2) inhibitors screening from literature, present study also discussed the rational application of candidate herbs to this epidemic situation. Trichosanthis Fructus obtained by PLP inhibitors screening and Fritillaria verticillata obtained by ACE2 inhibitors screening were parts of the Sangbei Zhisou Powder and Xiaoxianxiong Decoction, which might be applicable to the syndromes of cough and dyspnea. Rhei Radix et Rhizoma screened by Mpro and Trichosanthis Fructus screened by PLP were contained in Maxing Shigan Decoction and Xuanbai Chengqi Decoction, and could be applied to the syndromes of epidemic virus blocking lung. Mori Folium, Lonicerae Japonicae Flos and Forsythiae Fructus obtained by ACE2 inhibitors screening were included in the Sangju Decoction and Yinqiaosan, which might be applicable to the syndromes of warm pathogen attacking lung and cough and dyspnea. The results of this study are intended to provide a reference for the further development of traditional Chinese medicine to deal with the new epidemic.

A simple and efficient HPLC-DAD (225 nm) method was developed and validated for the simultaneous determination of limonin and six key alkaloids (evodiamine, rutaecarpine, 1-methyl-2-undecyl-4(1H)-quinolone, evocarpine, 1-methy-2-[(6Z,9Z)]-6,9-pentadecadienyl-4-(1H)-quinolone, and dihydroevocarpine) in Evodia rutaecarpa (Juss.) Benth, which has been widely used as one of the Traditional Chinese Medicines. The chromatographic separation was carried out on a Hypersil BDS C18 column, and gradient elution was employed with a mobile phase containing acetonitrile and water. Contents of the analytes in 18 batches of samples were analyzed by ultrasonic extraction with ethanol and water mixture (80 : 20, v/v) followed by HPLC analysis. Separation of the seven analytes was achieved within 60 min with good linearity (r > 0.999). The RSD of both the intraday and interday precision was below 1.85%. The accuracy at different concentrations was within the range of 97.91 to 100.49%. Hierarchical clustering analysis was performed to differentiate and classify the samples based on the contents of the seven constituents. This study indicated that the quality control of E. rutaecarpa could be simplified to the measurement of four constituents, and that limonin, 1-methyl-2-undecyl-4(1H)-quinolone, and dihydroevocarpine should also be served as the chemical markers together with evodiamine for the quality control of Evodia rutaecarpa (Juss.) Benth.

Objective: To study the chemical constituents of Flos Chrysanthemi Indici., Methods: Chemical constituents were isolated and purified by silica gel and Sephadex LH-20 column chromatography. Their structures were indentified by means of physicochemical and spectral data., Results: From the 80% ethanol extract of the material, seven compounds were isolated. Their structures were identified as luteolin (1), luteolin-7-O-beta-D-glucopyranoside (2), luteolin-7-O-(6"-O-acetyl)-beta-D-glucopyranoside (3), diosmetin (4), diosmetin-7-O-beta-D-glucopyranoside (5), eupatilin (6) and apigenin (7), respectively., Conclusion: Compounds 3-6 are isolated from Flos Chrysanthemi Indici for the first time.

Objective: To investigate the penetration of topical 1% voriconazole into the cornea and aqueous humor in New Zealand white rabbits., Methods: It was a experimental study. Forty-eight healthy rabbits were randomly divided into groups A (21 cases), B (21 cases) and C (6 cases). Blank samples from group C were used to determine the essential parameters for the validation of analytical procedures. A single 50 microl drop of 1% voriconazole was administered in group A (non-debrided cornea) and group B (debrided cornea). The aqueous humor and the cornea were obtained at 2, 5, 10, 15, 30, 60 and 90 min after application. All samples were analyzed by high-performance liquid chromatography (HPLC). The HPLC system consisted of Waters 1525 pump, Phenomenex Luna C18 (250.0 mm x 4.6 mm, 5.0 microm) column, Phenomenex C18 (4.0 mm x 3.0 mm, 5.0 microm) analytical steel column and a Waters Empower data workstation. The UV detector was set to 255.0 nm. Methanol-0.04 mol/L ammonium hydroxide (62:38, V/V) was used as mobile phase and the flow rate was 0.8 ml/min. External standard was used in this assay. The pharmacokinetic parameters were calculated with nonlinear least square method by the computer., Results: Calibration curves were linear over the range 0.1-15.0 mg/L. The concentration at 0.1 mg/L was the lowest quantified limit. The recovery of voriconazole from aqueous humor samples ranged from 91.06% to 94.80%, and ranged from 79.84% to 83.20% in the cornea samples. After single dose application, the drug concentration in aqueous humor peaked at 10 min in both group A [ (5.172 +/- 1.012) mg/L] and group B [(6.118 +/- 1.123) mg/L], and the parameters t(1/2 ke) in groups A and B were 6.859 min and 13.176 min, respectively. However, peak drug levels were achieved immediately at 2 min in the cornea [group A: (9.958 +/- 3.481) microg/g and group B: (158.476 +/- 10.462) microg/g]. The parameter t(1/2 beta) in nondebrided cornea was 94.938 min and 46.367 min in debrided corneas., Conclusions: Topical voriconazole exhibits excellent penetration into the cornea, and effective high drug levels are achieved in both the cornea and aqueous humor after single dose application. It can be a prominent agent for the treatment of fungal keratitis in the future.

A comprehensive HPLC-DAD-MS method was developed to study the chemical components of semi-bionic extract of Coptis-Evodia herb couple. The extract was isolated on a Hypersil BDS C18 column (4.6 mm x 200 mm, 5 microm) using acetonitrile-ammonium formic buffer as mobile phase by gradient elution. Detection was performed on DAD and MS equipped with an electrospray ionization (ESI) source by full scan and product full scan on positive mode. The chromatogram of Coptis-Evodia showed seventeen main peaks, eight of which were from Evodia while the others were from Coptis. By comparison of the retention time, the on-line UV spectra and MS spectra, four peaks were identified as jatrorrhizine, hydroxevodiamine, palmatine and berberine, and three peaks were deduced as epiberberine, columbamine and coptisine. In addition, berberine and palmatine were quantitatively determined. No new component was created in the semi-bionic extract of the herb couple, yet the solubilities of berberine and palmatine decreased.

Objective: To explore the effects of slenderstyle acanthopanax root-bark on cyclooxygenase in vivo and in vitro., Method: Contents of 6-keto-PGF1alpha in bovine aorta endothelial cells, PGE2 in mouse abdominal macrophages, and 6-keto-PGF1alpha in rat stomach tissue were determined. The ulcer index in rat gastric mucosa was measured., Result: COX-1 and COX-2 were inhibited by slenderstyle acanthopanax root-bark, and the inhibitive rate of COX-2 was higher than that of COX-1 at the same concentration. Necrotic injuries in health gastric mucosa were not produced, but the injuries previously induced by the ethanol worsened., Conclusion: One of the antirheumatic mechanisms of slender-root-bark might probably be mediating through inhibition of cyclooxygenase. style acanthopanax