Xiujie Liu

Environmental materials for remediation of soils contaminated with lead and cadmium using maize (Zea mays L.) growth as a bioindicator

Heavy metal pollution is a severe environmental problem. Remediation of contaminated soils can be accomplished using environmental materials that are low cost and environmentally friendly. We evaluated the individual and combination effects of humic acid (HA), super absorbent polymer (SAP), zeolite (ZE), and fly ash composites (FC) on immobilization of lead (Pb) and cadmium (Cd) in contaminated soils. We also investigated long-term practical approaches for remediation of heavy metal pollution in soil. The biochemical and morphological properties of maize (Zea mays L.) were selected as biomarkers to assess the effects of environmental materials on heavy metal immobilization. The results showed that addition of test materials to soil effectively reduced heavy metal accumulation in maize foliage, improving chlorophyll levels, plant growth, and antioxidant enzyme activity. The test materials reduced heavy metal injury to maize throughout the growth period. A synergistic effect from combinations of different materials on immobilization of Pb and Cd was determined based on the reduction of morphological and biochemical injuries to maize. The combination of zeolite and humic acid was especially effective. Treatment with a combination of HA + SAP + ZE + FC was superior for remediation of soils contaminated with high levels of Pb and Cd.

Differential proteomic analysis of dimethylnitrosamine (DMN)-induced liver fibrosis

Liver fibrosis is a common pathological feature of many chronic liver diseases. To characterize the entire panorama of proteome changes in dimethylnitrosamine (DMN)‐induced liver fibrosis, isobaric tags for relative and absolute quantitation (iTRAQ)‐based differential proteomic analysis is performed with DMN‐induced liver fibrosis rats. A total of 4155 confidently identified proteins are found, with 365 proteins showing significant changes (fold changes of >1.5 or < 0.67, p < 0.05). In metabolic activation, proteins assigned to drug metabolism enzymes (e.g., CYP2D1) change, suggesting that the liver protection mechanism is activated to relieve DMN toxicity. In addition, the altered proteins of immune response and oxidative stress may activate hepatic stellate cells. Glucose metabolism disorder in DMN model rats is demonstrated by a decrease in key enzymes (e.g., ACSL1) in fatty acid metabolism, a tricabolic acid cycle‐related enzyme (SDH), glycogenolysis enzyme, and gluconeogenesis enzymes (PC, PCKGC) and by an increase in glycolysis enzymes (e.g., HXK1). Meanwhile, alterations in iron and calcium ion homeostasis proteins are observed. Our results also show that mitochondrial dysfunction may be involved in DMN hepatotoxicity. In conclusion, these altered liver proteins in the DMN model and control rats provide data for understanding the functional mechanism of liver fibrosis.

Using molecular docking analysis to discovery Dregea sinensis Hemsl. potential mechanism of anticancer, antidepression, and immunoregulation

Background: Dregea sinensis Hemsl. plant of the genus Dregea volubilis (Asclepiadaceae), plays a vital role in anticancer, antidepression, and immunoregulation. Steroidal glycosides are the main constituents of this herb, which were significant biological active ingredients. Objective: The objective of this study is to recognize the mechanism of anticancer, antidepression, and immunoregulation of D. sinensis Hemsl. Materials and Methods: Seventy-two steroidal glycosides of D. sinensis Hemsl. were evaluated on the docking behavior of tumor-associated proteins (PI3K, Akt, mTOR), depression-related proteins (MAO-A, MAO-B) and immune-related proteins (tumor necrosis factor-α [TNF-α], tumor necrosis factor receptor 2 [TNFR2], interleukin-2Rα [IL-2Rα]) using Discovery Studio version 3.1 (Accelrys, San Diego, USA). Results: The molecular docking analysis revealed that mostly steroidal glycosides of D. sinensis Hemsl. exhibited powerful interaction with the depression-related protein (MAO-A) and the immune-related proteins (TNFR2, IL-2Rα). Some ligands exhibited high binding energy for the tumor-associated proteins (PI3K, Akt, mTOR) and the immune-related protein (TNF-α), but MAO-B showed none interaction with the ligands. Conclusion: This study has paved better understanding of steroidal glycosides from D. sinensis Hemsl. as potential constituents to the prevention of associated cancer, depression and disorders of immunoregulation. Abbreviations used: PI3K: Phosphatidyl inositol 3-kinase; Akt: Protein kinase B; mTOR: Mammalian target of rapamycin; MAO-A: Monoamine oxidase A; MAO-B: Monoamine oxidase B; TNF-α: Tumor necrosis factor α; TNFR2: Tumor necrosis factor receptor 2; IL-2Rα: The alpha subunit (CD25) of the interleukin-2 receptor; DS: Discovery Studio; PDB: Protein Database Bank; 3D: three-dimensional.

Six new C-21 steroidal glycosides from Dregea sinensis Hemsl

Abstract Six new C-21 steroidal glycosides (1–6) were separated from the root of Dregea sinensis Hemsl. and their structures were elucidated using extensive nuclear magnetic resonance, mass spectrometry, and infrared spectral analyses. Isolated compounds were evaluated for antitumor activity, which showed that compound 3 had moderate activity in Jurkat cells (IC50 19.54 ± 0.91 μM), and compounds 1–4 had significant effects against IL-2R and TNFR2 (IC50 1.518 ± 0.06 μM to 5.9 ± 0.07 μM).

Herbal Formula, Baogan Yihao (BGYH), Prevented Dimethylnitrosamine(DMN)‐Induced Liver Injury in Rats

Preclinical Research

Bupleurum marginatum Wall.ex DC in Liver Fibrosis: Pharmacological Evaluation, Differential Proteomics, and Network Pharmacology

Liver fibrosis is a common pathological feature of many chronic liver diseases. Bupleurum marginatum Wall.ex DC (ZYCH) is a promising therapeutic for liver fibrosis. In this study, 25 compounds were isolated from ZYCH, and the effects of ZYCH on DMN-induced liver fibrosis in rats were evaluated. The optimal effect group (H-ZYCH group) was selected for further proteomic analysis, and 282 proteins were altered in comparison to the DMN model group (FC > 1.2 or < 0.83, p < 0.05). Based on GO annotation analysis, clusters of drug metabolism, oxidative stress, biomolecular synthesis and metabolism, positive regulation of cell growth, extracellular matrix deposition, and focal adhesion were significantly regulated. Then networks of the altered proteins and compounds was generated by Cytoscape. Importantly, triterpenoid saponins and lignans had possessed high libdock scores, numerous targets, important network positions, and strong inhibitory activity. These findings may suggest that triterpenoid saponins and lignans are important active compounds of ZYCH in liver fibrosis and targeted by proteins involved in liver fibrosis. The combination of network pharmacology with proteomic analysis may provide a forceful tool for exploring the effect mechanism of TCM and identifying bioactive ingredients and their targets.

Screening human epidermal growth factor receptor-2 inhibitors from natural products

Using the technology of molecular docking, the inhibitor structural features of human epidermal growth factor receptor-2 were studied by screening human epidermal growth factor receptor-2 inhibitors from natural products databases. DS virtual screening systems had been established. The extracellular region and kinase domain of HER2 were selected as target protein. Different conformations, interaction forces formed and important amino acids were discussed in the docking process. The result indicated that the extracellular region of HER2 was prone to combine steroids with oligosaccharide chain and the kinase domain of HER2 easily combined compounds with more oxygen atoms and unsaturated bond.