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Article ; Online: Molecular mechanism of Yi-Qi-Yang-Yin-Ye against obesity in rats using network pharmacology, molecular docking, and molecular dynamics simulations

Feifei Sun / Jinde Liu / Jingfei Xu / Ali Tariq / Yongning Wu / Lin Li

Arabian Journal of Chemistry, Vol 17, Iss 1, Pp 105390- (2024)

1481

Abstract: The increasing prevalence of obesity globally, which as well as affecting people's daily lives and increasing the risk of obesity complications, also threatens the health of animal organisms simultaneously. It’s been reported that Yi-Qi-Yang-Yin-Ye had ... ...

Abstract	The increasing prevalence of obesity globally, which as well as affecting people's daily lives and increasing the risk of obesity complications, also threatens the health of animal organisms simultaneously. It’s been reported that Yi-Qi-Yang-Yin-Ye had remarkable efficacy in the treatment of obesity. The specific underlying mechanism of action of Yi-Qi-Yang-Yin-Ye in treating obesity, however, remains ambiguous. Therefore, the innovative approach, which is network pharmacology combined with molecular docking and molecular dynamics simulations, was employed in the current research to explore the potential mechanism and promote further development in the treatment of obesity. The active ingredients and related targets of Yi-Qi-Yang-Yin-Ye and related targets of obesity were summarized from extensive public databases. Furthermore, network topology analysis and pathway enrichment analysis were performed to explore the complicated interactions between drug and targets. Finally, accurate validation methods composed of molecular docking and molecular dynamics simulations were conducted to elucidate the binding affinity of Yi-Qi-Yang-Yin-Ye with obesity-related targets. As a result, 13 main active ingredients and 5 core targets of Yi-Qi-Yang-Yin-Ye against obesity in rats were acquired through primary screening of network topology analysis. Pathway enrichment analysis demonstrated that intersectional targets were involved in multiple signaling pathways, where PI3K-Akt signaling pathway, MAPK signaling pathway, and Insulin resistance were the main pathways of Yi-Qi-Yang-Yin-Ye in treating obesity in rats. Finally, molecular docking indicated that the seven critical active ingredients displayed great binding affinity to the hub targets. Furthermore, molecular dynamics simulations further screened and obtained that five critical active ingredients acting on the Mapk1 target for Yi-Qi-Yang-Yin-Ye against obesity in rats. The innovative approach and the results achieved have further contributed to and revealed the molecular ...
Keywords	Natural products ; Yi-Qi-Yang-Yin-Ye ; Obesity ; Network pharmacology ; Molecular docking ; Molecular dynamics simulations ; Chemistry ; QD1-999
Subject code	541
Language	English
Publishing date	2024-01-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Gradients of PI(4,5)P2 and PI(3,5)P2 Jointly Participate in Shaping the Back State of Dictyostelium Cells

Dong Li / Feifei Sun / Yihong Yang / Hui Tu / Huaqing Cai

Frontiers in Cell and Developmental Biology, Vol

2022 Volume 10

Abstract: Polarity, which refers to the molecular or structural asymmetry in cells, is essential for diverse cellular functions. Dictyostelium has proven to be a valuable system for dissecting the molecular mechanisms of cell polarity. Previous studies in ... ...

Abstract	Polarity, which refers to the molecular or structural asymmetry in cells, is essential for diverse cellular functions. Dictyostelium has proven to be a valuable system for dissecting the molecular mechanisms of cell polarity. Previous studies in Dictyostelium have revealed a range of signaling and cytoskeletal proteins that function at the leading edge to promote pseudopod extension and migration. In contrast, how proteins are localized to the trailing edge is not well understood. By screening for asymmetrically localized proteins, we identified a novel trailing-edge protein we named Teep1. We show that a charged surface formed by two pleckstrin homology (PH) domains in Teep1 is necessary and sufficient for targeting it to the rear of cells. Combining biochemical and imaging analyses, we demonstrate that Teep1 interacts preferentially with PI(4,5)P2 and PI(3,5)P2in vitro and simultaneous elimination of these lipid species in cells blocks the membrane association of Teep1. Furthermore, a leading-edge localized myotubularin phosphatase likely mediates the removal of PI(3,5)P2 from the front, as well as the formation of a back-to-front gradient of PI(3,5)P2. Together our data indicate that PI(4,5)P2 and PI(3,5)P2 on the plasma membrane jointly participate in shaping the back state of Dictyostelium cells.
Keywords	polarity ; back state ; phosphoinositide signaling ; Dictyostelium ; migration ; Biology (General) ; QH301-705.5
Subject code	571
Language	English
Publishing date	2022-02-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Unraveling the mechanism of action of cepharanthine for the treatment of novel coronavirus pneumonia (COVID-19) from the perspectives of systematic pharmacology

Feifei Sun / Jinde Liu / Ali Tariq / Zhonglei Wang / Yongning Wu / Lin Li

Arabian Journal of Chemistry, Vol 16, Iss 6, Pp 104722- (2023)

2023

Abstract: Natural products play an irreplaceable role in the treatment of SARS-CoV-2 infection. Nevertheless, the underlying molecular mechanisms involved remain elusive. To better understand their potential therapeutic effects, more validation studies are needed ... ...

Abstract	Natural products play an irreplaceable role in the treatment of SARS-CoV-2 infection. Nevertheless, the underlying molecular mechanisms involved remain elusive. To better understand their potential therapeutic effects, more validation studies are needed to explore underlying mechanisms systematically. This study aims to explore the potential targets of action and signaling pathways of cepharanthine for the treatment of COVID-19. This study revealed that a total of 173 potential targets of action for Cepharanthine and 86 intersectional targets for Cepharanthine against COVID-19 were screened and collected. Gene Ontology enrichment analysis suggested that inflammatory, immune cell and enzyme activities were the critical terms for cepharanthine against COVID-19. Pathway enrichment analysis showed that five pathways associated with COVID-19 were the main signaling pathways for the treatment of COVID-19 via cepharanthine. Molecular docking and molecular dynamics simulations suggested that 6 core targets were regarded as potential targets for cepharanthine against COVID-19. In brief, the study demonstrates that cepharanthine may play an important role in the treatment of SARS-CoV-2 infection through its harmonious activity against SARS-CoV-2 pathways and multiple related targets. This article provides valuable insights required to respond effectively to concerns of western medical community.
Keywords	Natural products ; COVID-19 ; Cepharanthine ; Molecular mechanism ; Network pharmacology ; Chemistry ; QD1-999
Subject code	572
Language	English
Publishing date	2023-06-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Long non-coding RNA TTTY15 sponges miR-520a-3p to exacerbate neural apoptosis induced by cerebral ischemia/reperfusion via targeting IRF9 both in vivo and in vitro

Huan Wang / Hui Yang / Mingxiu Chang / Feifei Sun / Huiping Qi / Xuling Li

Biomedical Journal, Vol 46, Iss 2, Pp 100530- (2023)

2023

Abstract: Background: Studies have proven that as competing endogenous RNAs (ceRNAs), long non-coding RNAs (lncRNAs) play vital roles in regulating RNA transcripts in ischemic stroke. It has been reported that TTTY15, a lncRNA, is dysregulated in cardiomyocytes ... ...

Abstract	Background: Studies have proven that as competing endogenous RNAs (ceRNAs), long non-coding RNAs (lncRNAs) play vital roles in regulating RNA transcripts in ischemic stroke. It has been reported that TTTY15, a lncRNA, is dysregulated in cardiomyocytes after ischemic injury. We intended to explore the potential regulating mechanism of TTTY15 in ischemic stroke. Methods: TTTY15 and miR-520a-3p levels in vivo were measured in the cerebral ischemia/reperfusion (I/R) model. Cell apoptosis was measured by flow cytometry. To manifest TTTY15 functions in I/R injury, Neuro 2a (N2a) cells were exposed to oxygen-glucose deprivation/reoxygenation (OGD/R) and treated with si-NC, pcDNA3.1-NC, si-TTTY15 or pcDNA3.1-TTTY15. Results: TTTY15 expression was elevated and miR-520a-3p expression was declined in mouse brains exposed to I/R and in N2a cells exposed to OGD/R. Bioinformatics analyses predicted the binding sites of miR-520a-3p in the 3′-UTRs of interferon regulatory factor 9 (IRF9) and TTTY15. Luciferase reporter assay exhibited that TTTY15 bound to miR-520a-3p directly and IRF9 was targeted by miR-520a-3p. MiR-520a-3p overexpression diminished N2a cell apoptosis caused by OGD/R. TTTY15 overexpression antagonized the inhibitory impacts of miR-520a-3p on IRF9 expression and apoptosis after OGD/R, while TTTY15 knockdown enhanced the inhibitory impacts of miR-520a-3p. Additionally, TTTY15 knockdown alleviated brain damages and neurological deficits induced by I/R in vivo. Our results revealed that TTTY15 modulated IRF9 via acting as a ceRNA for miR-520a-3p. Conclusion: The study revealed the roles of TTTY15/miR-520a-3p/IRF9 signaling pathway in regulating cerebral ischemia/reperfusion injury.
Keywords	TTTY15 ; miR-520a-3p ; IRF9 ; Apoptosis ; Cerebral ischemia/reperfusion ; Medicine (General) ; R5-920 ; Biology (General) ; QH301-705.5
Subject code	610
Language	English
Publishing date	2023-04-01T00:00:00Z
Publisher	Elsevier
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Deterministic Process Dominated Belowground Community Assembly When Suffering Tomato Bacterial Wilt Disease

Hong Liu / Feifei Sun / Junwei Peng / Minchong Shen / Jiangang Li / Yuanhua Dong

Agronomy, Vol 12, Iss 1024, p

2022 Volume 1024

Abstract: Soil microbial communities are closely associated with ecosystem functions. However, unravelling the complex nature of the microbial world and successfully utilizing all positive interactions for multipurpose environmental benefits is still a major ... ...

Abstract	Soil microbial communities are closely associated with ecosystem functions. However, unravelling the complex nature of the microbial world and successfully utilizing all positive interactions for multipurpose environmental benefits is still a major challenge. Here, we describe the soil bacterial communities in different niches of healthy and diseased tomatoes under natural conditions. A higher abundance of the pathogen Ralstonia solanacearum and lower bacterial diversity were observed in the disease samples. The healthy tomato rhizosphere harbored more plant-beneficial microbes, including Bacillus and Streptomyces . Also, the co-occurrence network in the healthy rhizosphere samples was more complicated, so as to better adapt to the soil-borne pathogen invasion. Both the beta nearest-taxon-index (βNTI) and normalized stochasticity ratio (NST) analyses demonstrated that healthy rhizosphere communities were less phylogenetically clustered and mainly dominated by dispersal limitation, while homogeneous selection was the major assembly process driving the rhizosphere community of diseased samples. The results obtained with community assembly methods and co-occurrence network analysis revealed that healthy rhizosphere bacterial communities possessed potentially broader environmental stress (soil-borne pathogen stress) adaptability compared with diseased rhizosphere bacterial communities. In conclusion, this study contributed to widening our understanding of the potential mechanisms of soil bacterial community composition and assembly responding to soil-borne pathogen invasion.
Keywords	bacterial community ; beneficial microbes ; community assembly ; co-occurrence network ; Ralstonia solanacearum Y ; Agriculture ; S
Subject code	630
Language	English
Publishing date	2022-04-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Effects of Afforestation Projects on Tradeoffs between Ecosystem Services

Tianshi Pan / Lijun Zuo / Zengxiang Zhang / Xiaoli Zhao / Feifei Sun / Zijuan Zhu / Yingchun Liu

Forests, Vol 13, Iss 232, p

A Case Study of the Guanting Reservoir Basin, China

2022 Volume 232

Abstract: Evaluating the responses of ecosystem services (ESs) to local land-use changes is critical for understanding the effects of ecological projects related to land planning. Change patterns in the interrelationships between ESs delivered by land-use changes, ...

Abstract	Evaluating the responses of ecosystem services (ESs) to local land-use changes is critical for understanding the effects of ecological projects related to land planning. Change patterns in the interrelationships between ESs delivered by land-use changes, which are helpful for formulating future strategies, have not been well studied. In this study, we quantified four ESs, namely water yield (WY), water and soil conservation, nonpoint pollution control, and carbon sequestration services, based on the soil and water assessment tool model (SWAT) in the Zhangjiakou section of the Guanting Reservoir watershed, a region with a high concentration of afforestation projects. The impacts of land-use changes on changes in ESs and interrelationships of ESs were investigated by redundancy analysis. The results showed that, along with afforestation, regional water conservation and soil organic carbon content increased by 3.22% and 1.08%, respectively, whereas sediment output, WY, phosphorus output, and nitrogen output decreased by 1.82%, 3.07%, 8.08%, and 12.51%, respectively. Significant tradeoffs of regional ESs were observed between WY and other ESs, while synergies existed between other ESs. Increased areas of evergreen and deciduous forests helped in conserving water, fixing carbon, and regulating runoff. Evergreen forests tended to conserve more water than deciduous forests. With the increase in grassland area, most of the ESs can be improved while introducing fewer tradeoffs compared with those of most of other land-use types. This study provided a better understanding of the effects of afforestation on ESs tradeoffs and benefits to develop better ecological conservation strategies in afforestation regions.
Keywords	afforestation ; land use ; ecosystem service relationships ; water yield ; water and soil conservation ; nonpoint pollution control ; Plant ecology ; QK900-989
Subject code	333 ; 550
Language	English
Publishing date	2022-02-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Mapping Crop Distribution Patterns and Changes in China from 2000 to 2015 by Fusing Remote-Sensing, Statistics, and Knowledge-Based Crop Phenology

Yue Wang / Zengxiang Zhang / Lijun Zuo / Xiao Wang / Xiaoli Zhao / Feifei Sun

Remote Sensing, Vol 14, Iss 1800, p

2022 Volume 1800

Abstract: Maps of different kinds of crops offer information about both crop distribution and crop mix, which support analyses on food security, environmental change, and climate change. Despite the growing capability for mapping specific crops, the majority of ... ...

Abstract	Maps of different kinds of crops offer information about both crop distribution and crop mix, which support analyses on food security, environmental change, and climate change. Despite the growing capability for mapping specific crops, the majority of studies have focused on a few dominant crops, whereas maps with a greater diversity of crops lack research. Combining cropping seasons derived from MODIS EVI data, regional crop calendar data, and agricultural statistical surveys, we developed an allocation model to map 14 major crops at a 1 km resolution across China for the years 2000, 2010, and 2015. The model was verified based on the fitness between the area of the three typical combinations of region, crop/crop group derived from remote sensing data, and statistical data. The R 2 , indicating fitness, ranged from 0.51 to 0.75, with a higher value for the crops distributed in plain regions and a lower value in regions with topographically diverse landscapes. Within the same combination of region and crop/crop group, the larger harvest area a province has, the higher its fitness, suggesting an overall reliable result at the national level. A comparison of paddy rice between our results and the National Land Use/Cover Database of China showed a relatively high R 2 and slope of fitness (0.67 and 0.71, respectively). Compared with the commonly used average allocation model, and without lending cropping season information, the diversity index of the results from our model is about 30% higher, indicating crop maps with greater spatial details. According to the spatial distribution analysis of the four main crops, the grids showing decreased trends accounted for 74.92%, 57.32%, and 59.00% of the total changed grid for wheat, rice, and soybean crops, respectively, while accounting for only 37.71% for maize. The resulting data sets can be used to improve assessments for nutrient security and sustainability of cropping systems, as well as their resilience in a changing climate.
Keywords	crop mapping ; crop distribution ; remote sensing ; regional crop calendar ; Science ; Q
Subject code	333
Language	English
Publishing date	2022-04-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Safety, pharmacokinetics, and pharmacodynamics of SHR7280, an oral gonadotropin-releasing hormone receptor antagonist, in healthy men

Xin Li / Feifei Sun / Xiaolei Zhang / Pingping Lin / Kai Shen / Yu Shen / Lingyu Ma / Yu Cao / Chenjing Wang

BMC Medicine, Vol 21, Iss 1, Pp 1-

a randomized, double-blind, placebo-controlled phase 1 study

2023 Volume 10

Abstract: Abstract Background Gonadotropin-releasing hormone (GnRH) antagonists are a promising therapeutic approach for treating hormone-dependent prostate cancer. Currently, the mainstream GnRH antagonists are polypeptide agents administered through subcutaneous ...

Abstract	Abstract Background Gonadotropin-releasing hormone (GnRH) antagonists are a promising therapeutic approach for treating hormone-dependent prostate cancer. Currently, the mainstream GnRH antagonists are polypeptide agents administered through subcutaneous injection. In this study, we evaluated the safety, pharmacokinetics (PK), and pharmacodynamics (PD) of SHR7280, an oral small molecule GnRH antagonist, in healthy men. Methods This phase 1 trial was a randomized, double-blind, placebo-controlled, and dose-ascending study. Eligible healthy men were randomized in a 4:1 ratio to receive either oral SHR7280 tablets or placebo twice daily (BID) for 14 consecutive days. The SHR7280 dose was initiated at 100 mg BID and then sequentially increased to 200, 350, 500, 600, 800, and 1000 mg BID. Safety, PK, and PD parameters were assessed. Results A total of 70 subjects were enrolled and received the assigned drug, including 56 with SHR7280 and 14 with placebo. SHR7280 was well-tolerated. The incidence of adverse events (AEs, 76.8% vs 85.7%) and treatment-related AEs (75.0% vs 85.7%), as well as the severity of AEs (moderate AEs, 1.8% vs 7.1%) were similar between the SHR7280 group and placebo group. SHR7280 was rapidly absorbed in a dose-dependent manner, with a median T max of each dose group ranging from 0.8 to 1.0 h on day 14 and a mean t 1/2 ranging from 2.8 to 3.4 h. The PD results demonstrated that SHR7280 exhibited a rapid and dose-proportional suppression of hormones, including LH, FSH, and testosterone, with maximum suppression achieved at doses of 800 and 1000 mg BID. Conclusions SHR7280 showed an acceptable safety profile, as well as favorable PK and PD profiles within a dose range of 100 to 1000 mg BID. This study proposes a rationale for further investigation of SHR7280 as a potential androgen deprivation therapy. Trial registration Clinical trials.gov NCT04554043; registered September 18, 2020.
Keywords	Gonadotropin-releasing hormone antagonists ; SHR7280 ; Trial in healthy men ; Safety ; Pharmacokinetics ; Pharmacodynamics ; Medicine ; R
Subject code	610
Language	English
Publishing date	2023-04-01T00:00:00Z
Publisher	BMC
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Delayed-Crosslink Hydrogel for Improving Oil Recovery in Differential Heterogeneous Reservoirs

Feifei Sun / Meiqin Lin / Zhaoxia Dong / Guiqing Zhang

ACS Omega, Vol 5, Iss 1, Pp 228-

2019 Volume 235

Keywords	Chemistry ; QD1-999
Language	English
Publishing date	2019-12-01T00:00:00Z
Publisher	American Chemical Society
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Impact of Land Use Change on Water Conservation

Tianshi Pan / Lijun Zuo / Zengxiang Zhang / Xiaoli Zhao / Feifei Sun / Zijuan Zhu / Yingchun Liu

Sustainability, Vol 13, Iss 22, p

A Case Study of Zhangjiakou in Yongding River

2021 Volume 22

Abstract: The implementation of ecological projects can largely change regional land use patterns, in turn altering the local hydrological process. Articulating these changes and their effects on ecosystem services, such as water conservation, is critical to ... ...

Abstract	The implementation of ecological projects can largely change regional land use patterns, in turn altering the local hydrological process. Articulating these changes and their effects on ecosystem services, such as water conservation, is critical to understanding the impacts of land use activities and in directing future land planning toward regional sustainable development. Taking Zhangjiakou City of the Yongding River as the study area—a region with implementation of various ecological projects—the impact of land use changes on various hydrological components and water conservation capacity from 2000 to 2015 was simulated based on a soil and water assessment tool model (SWAT). An empirical regression model based on partial least squares was established to explore the contribution of different land use changes on water conservation. With special focus on the forest having the most complex effects on the hydrological process, the impacts of forest type and age on the water conservation capacity are discussed on different scales. Results show that between 2000 and 2015, the area of forest, grassland and cultivated land decreased by 0.05%, 0.98% and 1.64%, respectively, which reduces the regional evapotranspiration (0.48%) and soil water content (0.72%). The increase in settlement area (42.23%) is the main reason for the increase in water yield (14.52%). Most land use covered by vegetation has strong water conservation capacity, and the water conservation capacity of the forest is particularly outstanding. Farmland and settlements tend to have a negative effect on water conservation. The water conservation capacity of forest at all scales decreased significantly with the growth of forest ( p < 0.05), while the water conservation capacity of different tree species had no significant difference. For the study area, increasing the forest area will be an effective way to improve the water conservation function, planting evergreen conifers can rapidly improve the regional water conservation capacity, while planting deciduous conifers is of great benefit to long-term sustainable development.
Keywords	land use ; water conservation ; empirical regression model ; forest age and type ; SWAT ; Environmental effects of industries and plants ; TD194-195 ; Renewable energy sources ; TJ807-830 ; Environmental sciences ; GE1-350
Subject code	333 ; 550
Language	English
Publishing date	2021-12-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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