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Article ; Online: Retraction Note: Xia-yu-xue decoction (XYXD) reduces carbon tetrachloride (CCl4)-induced liver fibrosis through inhibition hepatic stellate cell activation by targeting NF-κB and TGF-β1 signaling pathways.

Liu, Cheng / Yuan, Xia / Tao, Le / Cheng, Zhuoan / Dai, Xiuqin / Sheng, Xia / Xue, Dongying

BMC complementary medicine and therapies

2022 Volume 22, Issue 1, Page(s) 236

Language	English
Publishing date	2022-09-06
Publishing country	England
Document type	Retraction of Publication
ISSN	2662-7671
ISSN (online)	2662-7671
DOI	10.1186/s12906-022-03714-x
Database	MEDical Literature Analysis and Retrieval System OnLINE

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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: 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: Transcriptome-Wide m6A Analysis Provides Novel Insights Into Testicular Development and Spermatogenesis in Xia-Nan Cattle.

Liu, Shen-He / Ma, Xiao-Ya / Yue, Ting-Ting / Wang, Zi-Chen / Qi, Kun-Long / Li, Ji-Chao / Lin, Feng / Rushdi, Hossam E / Gao, Yu-Yang / Fu, Tong / Li, Ming / Gao, Teng-Yun / Yang, Li-Guo / Han, Xue-Lei / Deng, Ting-Xian

Frontiers in cell and developmental biology

2021 Volume 9, Page(s) 791221

Abstract: Testis is the primary organ of the male reproductive tract in mammals that plays a substantial role in spermatogenesis. Improvement of our knowledge regarding the molecular mechanisms in testicular development and spermatogenesis will be reflected in ... ...

Abstract	Testis is the primary organ of the male reproductive tract in mammals that plays a substantial role in spermatogenesis. Improvement of our knowledge regarding the molecular mechanisms in testicular development and spermatogenesis will be reflected in producing spermatozoa of superior fertility. Evidence showed that N6-Methyladenosine (m6A) plays a dynamic role in post-transcription gene expression regulation and is strongly associated with production traits. However, the role of m6A in bovine testis has not been investigated yet. In this study, we conducted MeRIP-Seq analysis to explore the expression profiles of the m6A and its potential mechanism underlying spermatogenesis in nine bovine testes at three developmental stages (prepuberty, puberty and postpuberty). The experimental animals with triplicate in each stage were chosen based on their semen volume and sperm motility except for the prepuberty bulls and used for testes collection. By applying MeRIP-Seq analysis, a total of 8,774 m6A peaks and 6,206 m6A genes among the studied groups were identified. All the detected peaks were found to be mainly enriched in the coding region and 3'- untranslated regions. The cross-analysis of m6A and mRNA expression exhibited 502 genes with concomitant changes in the mRNA expression and m6A modification. Notably, 30 candidate genes were located in the largest network of protein-protein interactions. Interestingly, four key node genes (
Language	English
Publishing date	2021-12-22
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2737824-X
ISSN	2296-634X
ISSN	2296-634X
DOI	10.3389/fcell.2021.791221
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Article ; Online: Design and synthesis of novel proline based factor XIa selective inhibitors as leads for potential new anticoagulants.

Hussain, Zahid / Cooke, Andrew J / Neelamkavil, Santhosh / Brown, Lindsay / Carswell, Emma / Geissler, Wayne M / Guo, Zhuyan / Hawes, Brian / Kelly, Terri M / Kiyoi, Yasuko / Lai, KehDih / Lesburg, Charles / Pow, Eleanor / Zang, Yi / Wood, Harold B / Edmondson, Scott D / Liu, Weiguo

Bioorganic & medicinal chemistry letters

2020 Volume 30, Issue 16, Page(s) 127072

Abstract: ... inhibition of blood coagulation factor XIa in search of new non-vitamin K antagonists based oral anticoagulants for potential prevention ...

Abstract	A series of 4, 4-disubstituted proline analogs were designed, synthesized, and tested for selective inhibition of blood coagulation factor XIa in search of new non-vitamin K antagonists based oral anticoagulants for potential prevention and treatment of thrombotic diseases. Starting from a potent thrombin (FIIa) inhibitor chemotype with FIIa IC
MeSH term(s)	Anticoagulants/chemical synthesis ; Anticoagulants/chemistry ; Anticoagulants/pharmacology ; Dose-Response Relationship, Drug ; Drug Design ; Factor XIa/antagonists & inhibitors ; Factor XIa/metabolism ; Humans ; Molecular Structure ; Proline/chemical synthesis ; Proline/chemistry ; Proline/pharmacology ; Structure-Activity Relationship
Chemical Substances	Anticoagulants ; Proline (9DLQ4CIU6V) ; Factor XIa (EC 3.4.21.27)
Language	English
Publishing date	2020-02-29
Publishing country	England
Document type	Journal Article
ZDB-ID	1063195-1
ISSN	1464-3405 ; 0960-894X
ISSN (online)	1464-3405
ISSN	0960-894X
DOI	10.1016/j.bmcl.2020.127072
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Article ; Online: Mitigating Spatial Conflict of Land Use for Sustainable Wetlands Landscape in Li-Xia-River Region of Central Jiangsu, China

Yan Sun / Xiaoping Ge / Junna Liu / Yuanyuan Chang / Gang-Jun Liu / Fu Chen

Sustainability, Vol 13, Iss 11189, p

2021 Volume 11189

Abstract: Li-Xia-river Wetlands make up the biggest freshwater marsh in East China. Over the last decades ... model with the purpose of quantitatively evaluating the intensity of land use conflict in Li-Xia-river ... threat to Li-Xia-river Wetlands. Coordinating land use conflict and formulating a practical strategy are ...

Abstract	Li-Xia-river Wetlands make up the biggest freshwater marsh in East China. Over the last decades, social and economic developments have dramatically altered the natural wetlands landscape. Mitigating land use conflict is beneficial to protect wetlands, maintain ecosystem services, and coordinate local socioeconomic development. This study employed multi-source data and GIS-based approaches to construct a composite index model with the purpose of quantitatively evaluating the intensity of land use conflict in Li-Xia-river Wetlands from 1978 to 2018. The results showed that the percentage of the wetlands’ area declined from 20.3% to 15.6%, with an overall reduction rate of 23.2%. The mean index of land use conflict increased from 0.15 to 0.35, which suggests that the conflict intensity changed from “no conflict” to “mild conflict.” The number of severe conflict units increased by about 25 times. A conspicuous spatial variation of land use conflict was observed across different periods, although taking land for agricultural activities was the overriding reason for wetlands reduction. However, in recent years, urban sprawl has posed the greatest threat to Li-Xia-river Wetlands. Coordinating land use conflict and formulating a practical strategy are the initial imperative steps to mitigate the threat to wetlands.
Keywords	Li-Xia-river Wetlands ; land use conflict ; urban sprawl ; wetland protection ; ecological service ; Environmental effects of industries and plants ; TD194-195 ; Renewable energy sources ; TJ807-830 ; Environmental sciences ; GE1-350
Subject code	710 ; 333
Language	English
Publishing date	2021-10-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Investigating the mechanism of Xian-ling-lian-xia-fang for inhibiting vasculogenic mimicry in triple negative breast cancer via blocking VEGF/MMPs pathway

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

Chinese Medicine, Vol 17, Iss 1, Pp 1-

2022 Volume 20

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

Abstract	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.
Keywords	Chinese medicine decoction ; Triple-negative breast cancer ; Vascular mimicry ; Network pharmacology ; Experimental validation ; Other systems of medicine ; RZ201-999
Subject code	616
Language	English
Publishing date	2022-04-01T00:00:00Z
Publisher	BMC
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.

Lorthiois, Edwige / Roache, James / Barnes-Seeman, David / Altmann, Eva / Hassiepen, Ulrich / Turner, Gordon / Duvadie, Rohit / Hornak, Viktor / Karki, Rajeshri G / Schiering, Nikolaus / Weihofen, Wilhelm A / Perruccio, Francesca / Calhoun, Amy / Fazal, Tanzina / Dedic, Darija / Durand, Corinne / Dussauge, Solene / Fettis, Kamal / Tritsch, Fabien /

Dentel, Celine / Druet, Adelaide / Liu, Donglei / Kirman, Louise / Lachal, Julie / Namoto, Kenji / Bevan, Douglas / Mo, Rose / Monnet, Gabriela / Muller, Lionel / Zessis, Richard / Huang, Xueming / Lindsley, Loren / Currie, Treeve / Chiu, Yu-Hsin / Fridrich, Cary / Delgado, Peter / Wang, Shuangxi / Hollis-Symynkywicz, Micah / Berghausen, Joerg / Williams, Eric / Liu, Hong / Liang, Guiqing / Kim, Hyungchul / Hoffmann, Peter / Hein, Andreas / Ramage, Paul / D'Arcy, Allan / Harlfinger, Stefanie / Renatus, Martin / Ruedisser, Simon / Feldman, David / Elliott, Jason / Sedrani, Richard / Maibaum, Juergen / Adams, Christopher M

Journal of medicinal chemistry

2020 Volume 63, Issue 15, Page(s) 8088–8113

Abstract: The serine protease factor XI (FXI) is a prominent drug target as it holds promise to deliver efficacious anticoagulation without an enhanced risk of major bleeds. Several efforts have been described targeting the active form of the enzyme, FXIa. Herein, ...

Abstract	The serine protease factor XI (FXI) is a prominent drug target as it holds promise to deliver efficacious anticoagulation without an enhanced risk of major bleeds. Several efforts have been described targeting the active form of the enzyme, FXIa. Herein, we disclose our efforts to identify potent, selective, and orally bioavailable inhibitors of FXIa. Compound
MeSH term(s)	Administration, Oral ; Amino Acid Sequence ; Animals ; Biological Availability ; Dogs ; Drug Evaluation, Preclinical/methods ; Factor XIa/antagonists & inhibitors ; Factor XIa/genetics ; Factor Xa Inhibitors/administration & dosage ; Factor Xa Inhibitors/chemistry ; Humans ; Male ; Mice ; Mice, Inbred C57BL ; Rats ; Rats, Sprague-Dawley ; Structure-Activity Relationship
Chemical Substances	Factor Xa Inhibitors ; Factor XIa (EC 3.4.21.27)
Language	English
Publishing date	2020-07-21
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	218133-2
ISSN	1520-4804 ; 0022-2623
ISSN (online)	1520-4804
ISSN	0022-2623
DOI	10.1021/acs.jmedchem.0c00279
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Article ; Online: Transcriptome-Wide m6A Analysis Provides Novel Insights Into Testicular Development and Spermatogenesis in Xia-Nan Cattle

Shen-he Liu / Xiao-ya Ma / Ting-ting Yue / Zi-chen Wang / Kun-long Qi / Ji-chao Li / Feng Lin / Hossam E. Rushdi / Yu-yang Gao / Tong Fu / Ming Li / Teng-yun Gao / Li-guo Yang / Xue-lei Han / Ting-xian Deng

Frontiers in Cell and Developmental Biology, Vol

2021 Volume 9

Abstract	Testis is the primary organ of the male reproductive tract in mammals that plays a substantial role in spermatogenesis. Improvement of our knowledge regarding the molecular mechanisms in testicular development and spermatogenesis will be reflected in producing spermatozoa of superior fertility. Evidence showed that N6-Methyladenosine (m6A) plays a dynamic role in post-transcription gene expression regulation and is strongly associated with production traits. However, the role of m6A in bovine testis has not been investigated yet. In this study, we conducted MeRIP-Seq analysis to explore the expression profiles of the m6A and its potential mechanism underlying spermatogenesis in nine bovine testes at three developmental stages (prepuberty, puberty and postpuberty). The experimental animals with triplicate in each stage were chosen based on their semen volume and sperm motility except for the prepuberty bulls and used for testes collection. By applying MeRIP-Seq analysis, a total of 8,774 m6A peaks and 6,206 m6A genes among the studied groups were identified. All the detected peaks were found to be mainly enriched in the coding region and 3′- untranslated regions. The cross-analysis of m6A and mRNA expression exhibited 502 genes with concomitant changes in the mRNA expression and m6A modification. Notably, 30 candidate genes were located in the largest network of protein-protein interactions. Interestingly, four key node genes (PLK4, PTEN, EGR1, and PSME4) were associated with the regulation of mammal testis development and spermatogenesis. This study is the first to present a map of RNA m6A modification in bovine testes at distinct ages, and provides new insights into m6A topology and related molecular mechanisms underlying bovine spermatogenesis, and establishes a basis for further studies on spermatogenesis in mammals.
Keywords	cattle ; testis ; m6A modification ; spermatogenesis ; semen quality ; sequencing ; Biology (General) ; QH301-705.5
Subject code	572
Language	English
Publishing date	2021-12-01T00:00:00Z
Publisher	Frontiers Media S.A.
Document type	Article ; Online
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Article ; Online: The Kv1.3 channel-inhibitory toxin BF9 also displays anticoagulant activity via inhibition of factor XIa.

Ding, Li / Hao, Jinbo / Luo, Xudong / Zhu, Wen / Wu, Zheng / Qian, Yi / Hu, Fangfang / Liu, Tianli / Ruan, Xuzhi / Li, Shan / Li, Jian / Chen, Zongyun

Toxicon : official journal of the International Society on Toxinology

2018 Volume 152, Page(s) 9–15

Abstract: ... inhibited intrinsic coagulation pathway-associated coagulation factor XIa, but have no apparent effects ... Asn17, Ala18 and Ile20 of BF9 are main residues involved in the inhibiting effect on factor XIa ... our present studies found the first dual functional peptides with Kv1.3 channel and coagulation factor XIa ...

Abstract	The Kv1.3 channel plays potential roles in immune, inflammation and coagulation system. Many studies showed that Kv1.3 channel inhibitors have immunosuppressive and anti-inflammatory activities, but no Kv1.3 channel inhibitors have been found to have anticoagulation activities. Here, based on our previous work about Kv1.3 channel toxin peptide inhibitors, we first attempt to test anticoagulation activities of four known venom-derived Kv1.3 channel inhibitors with different structural folds: BmKTX with CSα/β structural fold, OmTx3 with CSα/α structural fold, BF9 with Kuntz-type structural fold, and SjAPI-2 with Ascaris-type structural fold. Our results showed that BmKTX and OmTx3 have no activities towards both intrinsic and extrinsic coagulation pathway, SjAPI-2 just has weak activity towards intrinsic coagulation pathway, and BF9 has potent activity towards intrinsic coagulation pathway with no apparent effect on extrinsic coagulation pathway. Enzyme and inhibitor reaction kinetics experiments further showed that BF9 inhibited intrinsic coagulation pathway-associated coagulation factor XIa, but have no apparent effects on common coagulation pathway coagulation factor IIa. Structure-activity relationship showed that Gly14, Asn17, Ala18 and Ile20 of BF9 are main residues involved in the inhibiting effect on factor XIa. To the best of our knowledge, BF9 is the first anticoagulant with Kv1.3 channel inhibitory activity. Together, our present studies found the first dual functional peptides with Kv1.3 channel and coagulation factor XIa inhibitory activities, and provided a new molecular template for the lead drug discovery towards immune and thrombosis-associated human diseases.
MeSH term(s)	Anticoagulants/pharmacology ; Blood Coagulation/drug effects ; Bungarotoxins/pharmacology ; Factor XIa/antagonists & inhibitors ; Humans ; Kinetics ; Kv1.3 Potassium Channel/antagonists & inhibitors ; Scorpion Venoms/pharmacology ; Structure-Activity Relationship
Chemical Substances	Anticoagulants ; BF9 chymotrypsin inhibitor ; Bungarotoxins ; Kv1.3 Potassium Channel ; Scorpion Venoms ; Factor XIa (EC 3.4.21.27)
Language	English
Publishing date	2018-07-19
Publishing country	England
Document type	Journal Article
ZDB-ID	204479-1
ISSN	1879-3150 ; 0041-0101
ISSN (online)	1879-3150
ISSN	0041-0101
DOI	10.1016/j.toxicon.2018.07.014
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