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Article ; Online: Chemical Constituents of the Deep-sea Gammarid Shrimp-Derived Fungus Penicillium citrinum XIA-16.

Yu, Hao-Yu / Li, Yan / Zhang, Meng / Zou, Zheng-Biao / Hao, You-Jia / Xie, Ming-Min / Li, Li-Sheng / Meng, Da-Li / Yang, Xian-Wen

Chemistry & biodiversity

2023 Volume 20, Issue 11, Page(s) e202301507

Abstract: ... from the deep-sea-derived Penicillium citrinum XIA-16, together with 25 known compounds including ten polyketones (2 ...

Abstract	One new alkaloid, (S)-2-acetamido-4-(2-(methylamino)phenyl)-4-oxobutanoic acid (1), was isolated from the deep-sea-derived Penicillium citrinum XIA-16, together with 25 known compounds including ten polyketones (2-11), eight alkaloids (12-19), six steroids (20-25), and a fatty acid (26). Their planar and relative structures were determined by an analysis of 1D and 2D nuclear magnetic resonance (NMR) as well as high resolution electrospray ionization mass spectroscopy (HR-ESI-MS) data. The absolute configuration of 1 was determined by comparison of the experimental and calculated electronic circular dichroism (ECD) spectra. Penicitrinol B (6) significantly inhibited RSL3-induced ferroptosis (EC
MeSH term(s)	Animals ; Penicillium/chemistry ; Antineoplastic Agents/pharmacology ; Magnetic Resonance Spectroscopy/methods ; Alkaloids/chemistry ; Crustacea ; Molecular Structure
Chemical Substances	Antineoplastic Agents ; Alkaloids
Language	English
Publishing date	2023-11-09
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2139001-0
ISSN	1612-1880 ; 1612-1872
ISSN (online)	1612-1880
ISSN	1612-1872
DOI	10.1002/cbdv.202301507
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Article: First-In-Human Study to Assess the Safety, Pharmacokinetics, and Pharmacodynamics of SHR2285, a Small-Molecule Factor XIa Inhibitor in Healthy Subjects.

Chen, Rui / Guan, Xiaoduo / Hu, Pei / Dong, Yanli / Zhu, Yi / Zhang, Tengfei / Zou, Jianjun / Zhang, Shuyang

Frontiers in pharmacology

2022 Volume 13, Page(s) 821363

Abstract: Background: ...

Abstract	Background:
Language	English
Publishing date	2022-02-10
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2587355-6
ISSN	1663-9812
ISSN	1663-9812
DOI	10.3389/fphar.2022.821363
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Article ; Online: Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.

Xu, Guozhang / Liu, Zhijie / Wang, Xinkang / Lu, Tianbao / DesJarlais, Renee L / Thieu, Tho / Zhang, Jing / Devine, Zheng Huang / Du, Fuyong / Li, Qiu / Milligan, Cynthia M / Shaffer, Paul / Cedervall, Peder E / Spurlino, John C / Stratton, Christopher F / Pietrak, Beth / Szewczuk, Lawrence M / Wong, Victoria / Steele, Ruth A /

Bruinzeel, Wouter / Chintala, Madhu / Silva, Jose / Gaul, Michael D / Macielag, Mark J / Nargund, Ravi

Journal of medicinal chemistry

2022 Volume 65, Issue 15, Page(s) 10419–10440

Abstract: Activated factor XI (FXIa) inhibitors are promising novel anticoagulants with low bleeding risk compared with current anticoagulants. The discovery of potent FXIa inhibitors with good oral bioavailability has been challenging. Herein, we describe our ... ...

Abstract	Activated factor XI (FXIa) inhibitors are promising novel anticoagulants with low bleeding risk compared with current anticoagulants. The discovery of potent FXIa inhibitors with good oral bioavailability has been challenging. Herein, we describe our discovery effort, utilizing nonclassical interactions to improve potency, cellular permeability, and oral bioavailability by enhancing the binding while reducing polar atoms. Beginning with literature-inspired pyridine N-oxide-based FXIa inhibitor
MeSH term(s)	Animals ; Anticoagulants/chemistry ; Anticoagulants/pharmacology ; Dogs ; Drug Design ; Factor XIa/metabolism ; Pyridines/pharmacology ; Rabbits ; Rats
Chemical Substances	Anticoagulants ; Pyridines ; pyridine N-oxide (91F12JJJ4H) ; Factor XIa (EC 3.4.21.27)
Language	English
Publishing date	2022-07-21
Publishing country	United States
Document type	Journal Article ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	218133-2
ISSN	1520-4804 ; 0022-2623
ISSN (online)	1520-4804
ISSN	0022-2623
DOI	10.1021/acs.jmedchem.2c00442
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Article ; Online: The spatiotemporal evolution of ancient cities from the late Yangshao to Xia and Shang Dynasties in the Central Plains, China

Lijie Yan / Ruixia Yang / Peng Lu / Fei Teng / Xia Wang / Li Zhang / Panpan Chen / Xiang Li / Lanbo Guo / Dong Zhao

Heritage Science, Vol 9, Iss 1, Pp 1-

2021 Volume 16

Abstract: ... from the late Yangshao to the Xia and Shang Dynasties, which reflects the evolution of settlement and social ... to establish a spatiotemporal database of ancient cities in the late Yangshao, Longshan, as well as Xia and ... below 500 m and within 3 km from the river during the time interval from the late Yangshao to Xia and ...

Abstract	Abstract The Central Plains has a long history, rich culture, unique geographical advantages, and profound cultural heritage. The occurrence of ancient cities in the Central Plains marks the formation of Chinese state-level societies. The number, size, and distribution of ancient cities have changed greatly from the late Yangshao to the Xia and Shang Dynasties, which reflects the evolution of settlement and social organization. In this study, Geographic Information System (GIS) spatial database technology was used to establish a spatiotemporal database of ancient cities in the late Yangshao, Longshan, as well as Xia and Shang Dynasties in the Central Plains. This paper uses GIS spatial analysis technology to analyze the relationship between the ancient city distribution and the geographical environment, as well as the evolution of ancient city's shapes and sizes. Furthermore, by using the method of the nearest neighbor distance and gravity center analysis, this paper discusses the agglomeration characteristics and gravity center evolution of ancient cities. The results show that: (1) Most of the ancient cities were distributed in areas below 500 m and within 3 km from the river during the time interval from the late Yangshao to Xia and Shang Dynasties; (2) The shape of the ancient cities gradually changed from circles to squares in the Central Plains, which became a unified model for the later ancient city design; (3) The sizes of the 18 ancient cities in the Yangshao period shared high similarity, with an average area of 20 hectares. The sizes of 24 ancient cities in the Longshan period increased significantly, with an average of 39 hectares. During the Xia and Shang Dynasties, there were 22 ancient cities with an average size of 340 hectares, and the grade of sizes became obvious, marking the entrance into Chinese state-level societies; (4) Cities were scattered in the decentralized pattern during the late Yangshao and Longshan periods, whereas they became agglomerative in Xia and Shang Dynasties. This ...
Keywords	Ancient cities ; Spatiotemporal evolution ; GIS analysis ; From the late Yangshao to Xia and Shang Dynasties ; The Central Plains ; Fine Arts ; N ; Analytical chemistry ; QD71-142
Subject code	930
Language	English
Publishing date	2021-10-01T00:00:00Z
Publisher	SpringerOpen
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: The effect of water on the large-scale supercritical fluid chromatography purification of two factor XIa active pharmaceutical ingredients.

Li, Peng / Wu, Dauh-Rurng / Yip, Henry / Sun, Dawn / Zhang, Huiping / Hou, Xiaoping / Kempson, James / Mathur, Arvind

Journal of chromatography. A

2021 Volume 1651, Page(s) 462318

Abstract: BMS-962212, a parenteral Factor XIa inhibitor, was scaled-up for toxicity studies. Two steps ...

Abstract	BMS-962212, a parenteral Factor XIa inhibitor, was scaled-up for toxicity studies. Two steps of supercritical fluid chromatography (SFC) were developed for the chiral resolution of the penultimate and achiral purification of final active pharmaceutical ingredient (API), BMS-962212. A robust SFC process using Chiralcel OD-H with methanol-acetonitrile as modifier in CO
MeSH term(s)	Acetonitriles ; Ammonia/chemistry ; Chromatography, High Pressure Liquid ; Chromatography, Supercritical Fluid/methods ; Factor XIa/chemistry ; Factor XIa/isolation & purification ; Isoquinolines/chemistry ; Methanol/chemistry ; Pharmaceutical Preparations/chemistry ; Pharmaceutical Preparations/isolation & purification ; Stereoisomerism ; Water/chemistry ; para-Aminobenzoates/chemistry
Chemical Substances	Acetonitriles ; BMS-962212 ; Isoquinolines ; Pharmaceutical Preparations ; para-Aminobenzoates ; Water (059QF0KO0R) ; Ammonia (7664-41-7) ; Factor XIa (EC 3.4.21.27) ; Methanol (Y4S76JWI15) ; acetonitrile (Z072SB282N)
Language	English
Publishing date	2021-06-04
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1171488-8
ISSN	1873-3778 ; 0021-9673
ISSN (online)	1873-3778
ISSN	0021-9673
DOI	10.1016/j.chroma.2021.462318
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Article ; Online: Effects and Mechanisms of Ban-Xia Xie-Xin Decoction on Type 2 Diabetes Mellitus: Network Pharmacology Analysis and Experimental Evidence.

Yang, Maoyi / Hu, Zhipeng / Zhang, Lili / Yue, Rensong

Endocrine, metabolic & immune disorders drug targets

2022 Volume 23, Issue 7, Page(s) 947–963

Abstract: Background: Studies have indicated that Ban-Xia Xie-Xin Decoction (BXXXD) has therapeutic effects ...

Abstract	Background: Studies have indicated that Ban-Xia Xie-Xin Decoction (BXXXD) has therapeutic effects on type 2 diabetes mellitus (T2DM). However, due to the complexity of components and diversity of targets, the mechanisms are still not fully elucidated. Objective: In this research, we systematically analysed the targets of BXXXD through the method of network pharmacology and further validated them through experiments. Methods: The active components and therapeutic targets were identified, and these targets were analysed by the methods of gene ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG), and protein-protein interaction (PPI) analysis. Then, based on these network pharmacology analyses, we validated the main targets through animal experiments. Results: A total of 169 active components and 159 targets were identified. KEGG analysis showed that the mitogen-activated protein kinase (MAPK) signalling pathway, tumour necrosis factor (TNF) signalling pathway, the phosphatidylinositol 3' -kinase (PI3K), Akt signalling pathway, and other pathways were related to the treatment of T2DM by BXXXD. PPI network analysis showed that the key genes included signal transducers and activators of transcription 3 (STAT3), JUN, TNF, Recombinant V-Rel Reticuloendotheliosis Viral Oncogene Homolog A (RELA), Akt/PKB- 1 (Protein kinase B), TP53, mitogen-activated protein kinase-1 (MAPK-1), mitogen-activated protein kinase-3 (MAPK-3), interleukin- 6 (IL6), and mitogen-activated protein kinase-14 (MAPK- 14), respectively. Animal experiments showed that BXXXD could reduce blood glucose and improve insulin resistance, which may be related to the mechanisms of inhibiting TNF, interleukin-1 (IL-1), IL-6, and interleukin-17 (IL-17) and promoting Akt phosphorylation. Conclusion: Our research revealed the mechanisms of BXXXD in the treatment of diabetes, which laid a solid foundation for further studies on the molecular mechanisms of BXXXD in the treatment of T2DM.
MeSH term(s)	Animals ; Diabetes Mellitus, Type 2/drug therapy ; Proto-Oncogene Proteins c-akt ; Network Pharmacology ; Signal Transduction ; Blood Glucose ; Interleukin-6 ; Molecular Docking Simulation
Chemical Substances	Proto-Oncogene Proteins c-akt (EC 2.7.11.1) ; Blood Glucose ; Interleukin-6
Language	English
Publishing date	2022-12-22
Publishing country	United Arab Emirates
Document type	Journal Article
ZDB-ID	2228325-0
ISSN	2212-3873 ; 1871-5303
ISSN (online)	2212-3873
ISSN	1871-5303
DOI	10.2174/1871530323666221220141716
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Article ; Online: Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.

Dilger, Andrew K / Pabbisetty, Kumar B / Corte, James R / De Lucca, Indawati / Fang, Tianan / Yang, Wu / Pinto, Donald J P / Wang, Yufeng / Zhu, Yeheng / Mathur, Arvind / Li, Jianqing / Hou, Xiaoping / Smith, Daniel / Sun, Dawn / Zhang, Huiping / Krishnananthan, Subramaniam / Wu, Dauh-Rurng / Myers, Joseph E / Sheriff, Steven /

Rossi, Karen A / Chacko, Silvi / Zheng, Joanna J / Galella, Michael A / Ziemba, Theresa / Dierks, Elizabeth A / Bozarth, Jeffrey M / Wu, Yiming / Crain, Earl / Wong, Pancras C / Luettgen, Joseph M / Wexler, Ruth R / Ewing, William R

Journal of medicinal chemistry

2021 Volume 65, Issue 3, Page(s) 1770–1785

Abstract: Factor XIa (FXIa) is an enzyme in the coagulation cascade thought to amplify thrombin generation ...

Abstract	Factor XIa (FXIa) is an enzyme in the coagulation cascade thought to amplify thrombin generation but has a limited role in hemostasis. From preclinical models and human genetics, an inhibitor of FXIa has the potential to be an antithrombotic agent with superior efficacy and safety. Reversible and irreversible inhibitors of FXIa have demonstrated excellent antithrombotic efficacy without increased bleeding time in animal models (Weitz, J. I., Chan, N. C.
MeSH term(s)	Animals ; Mice ; Rabbits ; Administration, Oral ; Carotid Artery Thrombosis/drug therapy ; Factor XIa/antagonists & inhibitors ; Fibrinolytic Agents/administration & dosage ; Fibrinolytic Agents/chemical synthesis ; Fibrinolytic Agents/pharmacokinetics ; Fibrinolytic Agents/therapeutic use ; Macaca fascicularis ; Molecular Structure ; Pyrazoles/administration & dosage ; Pyrazoles/chemical synthesis ; Pyrazoles/pharmacokinetics ; Pyrazoles/therapeutic use ; Pyrimidines/administration & dosage ; Pyrimidines/chemical synthesis ; Pyrimidines/pharmacokinetics ; Pyrimidines/therapeutic use ; Rats, Sprague-Dawley ; Structure-Activity Relationship ; Triazoles/administration & dosage ; Triazoles/chemical synthesis ; Triazoles/pharmacokinetics ; Triazoles/therapeutic use ; Rats
Chemical Substances	Factor XIa (EC 3.4.21.27) ; Fibrinolytic Agents ; milvexian (0W79NDQ608) ; Pyrazoles ; Pyrimidines ; Triazoles
Language	English
Publishing date	2021-09-08
Publishing country	United States
Document type	Journal Article
ZDB-ID	218133-2
ISSN	1520-4804 ; 0022-2623
ISSN (online)	1520-4804
ISSN	0022-2623
DOI	10.1021/acs.jmedchem.1c00613
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Article: Investigating the mechanism of Xian-ling-lian-xia-fang for inhibiting vasculogenic mimicry in triple negative breast cancer via blocking VEGF/MMPs pathway.

Li, Feifei / Shi, Youyang / Zhang, Yang / Yang, Xiaojuan / Wang, Yi / Jiang, Kexin / Hua, Ciyi / Wu, Chunyu / Sun, Chenping / Qin, Yuenong / Liu, Sheng

Chinese medicine

2022 Volume 17, Issue 1, Page(s) 44

Abstract: Background: Xian-ling-lian-xia-fang (XLLXF), a Chinese medicine decoction, is widely used ...

Abstract	Background: Xian-ling-lian-xia-fang (XLLXF), a Chinese medicine decoction, is widely used in the treatment of triple negative breast cancer (TNBC). However, the underlying mechanism of XLLXF in TNBC treatment has not been totally elucidated. Methods: Here, network pharmacology and molecular docking were used to explore the mechanism of Traditional Chinese medicine in the treatment of TNBC. Then, biological experiments were integrated to verify the results of network pharmacology. Results: Network pharmacology showed that the candidate active ingredients mainly included quercetin, kaempferol, stigmasterol, and β-sitosterol through the "XLLXF-active ingredients-targets" network. Vascular endothelial growth factor A (VEGFA) and matrix metalloproteinase (MMP) 2 were the potential therapeutic targets obtained through the protein-protein interaction (PPI) network. Molecular docking confirmed that quercetin, kaempferol, stigmasterol, and β-sitosterol could stably combine with VEGFA and MMP2. Experimental verification showed that XLLXF could inhibit proliferation, colony ability, and vasculogenic mimicry (VM) formation and promote cell apoptosis in TNBC. Laser confocal microscopy found that XLLXF impaired F-actin cytoskeleton organization and inhibited epithelial mesenchymal transition. Animal experiments also found that XLLXF could inhibit tumor growth and VM formation in TNBC xenograft model. Western blot analysis and immunohistochemical staining showed that XLLXF inhibited the protein expression of VEGFA, MMP2, MMP9, Vimentin, VE-cadherin, and Twist1 and increased that of E-cadherin, tissue inhibitors of metalloproteinase (TIMP)-1, and TIMP-3 in vitro and in vivo. Conclusions: Integrating the analysis of network pharmacology and experimental validation revealed that XLLXF could inhibit VM formation via downregulating the VEGF/MMPs signaling pathway.
Language	English
Publishing date	2022-04-04
Publishing country	England
Document type	Journal Article
ZDB-ID	2260322-0
ISSN	1749-8546
ISSN	1749-8546
DOI	10.1186/s13020-022-00597-5
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Article: ‘Yan Xia’: A Novel Cultivar of Xanthoceras sorbifolium Bunge with Ornamental Value

Chen, Yuxin / Zhang, Zishuo / Wang, Kexin / Ou, Lijin / Ao, Yan

HortScience. 2021 Apr., v. 56, no. 4

2021

Abstract: ... by the National Forestry and Grassland Administration. ‘Yan Xia’ was successfully cultivated in July 2016 ... It can be grown in North China because of its cold- and drought-resistant nature. ‘Yan Xia’ has a greater ... period. ‘Yan Xia’ is taller and has a longer florescence than other varieties; it has a crucial role ...

Abstract	Yellow-horn (Xanthoceras sorbifolium Bunge), a valuable plant native to China, is a member of the family Sapindaceae. It is mainly distributed in North China, with a cultivation history of more than 1000 years (Ma et al., 2020). The species can be a tree or shrub, depending on the site conditions. Most trees are tall arbors with a round or spreading crown. Yellow-horn is characterized by a long period of blooming and a high number of flowers. The seed oil is highly valuable for cooking, and as a medicine and biofuel (Ruan et al., 2016; Shen et al., 2019). Yellow-horn is considered an ideal tree species with ecological, economic, and ornamental value. During recent years, yellow-horn has garnered attention and has been widely planted (Wang et al., 2019). Thirty-five varieties of yellow-horn have been certified by the National Forestry and Grassland Administration. ‘Yan Xia’ was successfully cultivated in July 2016. It can be grown in North China because of its cold- and drought-resistant nature. ‘Yan Xia’ has a greater number of petals than other varieties of yellow-horn. The color of petals changes throughout the blooming period. ‘Yan Xia’ is taller and has a longer florescence than other varieties; it has a crucial role in urban greening and gardening. Furthermore, the leaves and flowers of ‘Yan Xia’ can be used to produce tea. There are various medicinal components in the branches, leaves, and flowers of ‘Yan Xia’. The cultivar can also be cultivated to serve as a carbon sink, as well as for soil and water conservation.
Keywords	Xanthoceras sorbifolium ; biofuels ; carbon sinks ; color ; cultivars ; drought tolerance ; forestry ; grasslands ; medicine ; ornamental value ; seed oils ; shrubs ; soil ; tea ; trees ; water conservation ; China
Language	English
Dates of publication	2021-04
Size	p. 511-512.
Publishing place	American Society for Horticultural Science
Document type	Article
Note	NAL-AP-2-clean
ISSN	2327-9834
DOI	10.21273/HORTSCI15481-20
Database	NAL-Catalogue (AGRICOLA)

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Article: Malocclusions in Xia Dynasty in China.

Wang, Wei / Zeng, Xiang-Long / Zhang, Cheng-Fei / Yang, Yan-Qi

Chinese medical journal

2012 Volume 125, Issue 1, Page(s) 119–122

Abstract: ... the prevalence and severity of malocclusions in a sample of Xia Dynasty in China, and to compare these findings ... skulls of Xia Dynasty 4000 years ago. Of 86 dental arches, 29 cases had the jaw relationships. Tooth ... I.: Conclusions: It is indicated that over thousands of years from Neolithic Age (6000 - 7000 years ago) to Xia ...

Abstract	Background: The prevalence of malocclusion in modern population is higher than that in the excavated samples from the ancient times. Presently, the prevalence of juvenile malocclusion in the early stage of permanent teeth is as high as 72.92% in China. This study aimed to observe and evaluate the prevalence and severity of malocclusions in a sample of Xia Dynasty in China, and to compare these findings with the modern Chinese population. Methods: The material consisted of 38 male and 18 female protohistoric skulls of Xia Dynasty 4000 years ago. Of 86 dental arches, 29 cases had the jaw relationships. Tooth crowding, diastema, individual tooth malposition and malocclusion were studied. Results: Of the samples, 23.3% showed tooth alignment problems including crowding (8.1%), diastema (9.3%), and individual tooth malposition (5.8%). The prevalence of malocclusion was 27.6%, mainly presented as Angle Class I. Conclusions: It is indicated that over thousands of years from Neolithic Age (6000 - 7000 years ago) to Xia Dynasty (4000 years ago), the prevalence of malocclusion did not change significantly. The prevalence of malocclusion of Xia Dynasty samples was much lower than that of modern population.
MeSH term(s)	China/epidemiology ; Diastema ; Female ; History, Ancient ; Humans ; Male ; Malocclusion/epidemiology ; Malocclusion/history
Language	English
Publishing date	2012-01
Publishing country	China
Document type	Historical Article ; Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	127089-8
ISSN	0366-6999 ; 1002-0187
ISSN	0366-6999 ; 1002-0187
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