Eleven isoquinoline alkaloids on inhibiting tissue factor activity: structure-activity relationships and molecular docking
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Xuhua He
Abstract
Tissue factor (TF) which plays a key role in hemostasis and thrombosis appears to be an attractive target and medicinal plants having alkaloids inhibition TF activity benefit to cardiovascular disease (CVD). The aim of study is to explore further knowledge about alkaloids and TF. TF procoagulant activities were determined by the simplified chromogenic assay and their mRNA expression were then examined by reverse transcription and polymerase chain reaction. Besides, the potential of TF/FVIIa binding with four representative alkaloids were analyzed by molecular docking. The results indicated that these isoquinoline alkaloids with various structures had a different effect on suppression of TF activity. Molecular docking showed four alkaloids including l-corydalmine, berberine, jatrorrhizine, and tetrahydropalmatine were stably posed in the active binding pocket of TF/FVIIa. The SARs analysis showed the structural difference including planar, quaternary nitrogen, and the peripheral functional groups at C-8, C-9, C-10, have strong effect on inhibition of TF activity, which provided effective methods to modify isoquinoline alkaloids for inhibiting TF activity. This study provides a further evidence for the cardiovascular protection of isoquinoline alkaloids, and has physiological significance in the clinical challenge to use isoquinoline alkaloids or their potential analogs in the treatment of CVD.
Funding source: Talent Introduction Project of Guizhou University of China
Award Identifier / Grant number: 2010039
Funding source: Science and Technology Project of Guizhou Province of China
Award Identifier / Grant number: [2019]1120
Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: This study was supported by the Talent Introduction Project of Guizhou University of China (No.2010039) and the Science and Technology Project of Guizhou Province of China (No.[2019]1120).
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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© 2020 Walter de Gruyter GmbH, Berlin/Boston
Articles in the same Issue
- Frontmatter
- Review Article
- The fate of chlorophyll in phytophagous insects goes beyond nutrition
- Research Articles
- Eleven isoquinoline alkaloids on inhibiting tissue factor activity: structure-activity relationships and molecular docking
- Absolute configuration of tetrandrine and isotetrandrine influences their anti-proliferation effects in human T cells via different regulation of NF-κB
- Safflower injection inhibits pulmonary arterial remodeling in a monocrotaline-induced pulmonary arterial hypertension rat model
- Gas chromatography coupled to mass spectrometry (GC-MS) characterization and evaluation of antibacterial bioactivities of the essential oils from Piper arboreum Aubl., Piper aduncum L. e Piper gaudichaudianum Kunth
- Isolation of secondary metabolites from the Iranian medicinal plant Eremurus persicus
- Decumbic anhydride from the stem barks of Swintonia floribunda (Anacardiaceae)
- Phytochemical characterization of different yarrow species (Achillea sp.) and investigations into their antimicrobial activity
- Monitoring of changes in 5-n-alkylresorcinols during wheat seedling development
- Coumaronochromone as antibacterial and carbonic anhydrase inhibitors from Aerva persica (Burm.f.) Merr.: experimental and first-principles approaches
- Ethyl acetate extract from Cistus x incanus L. leaves enriched in myricetin and quercetin derivatives, inhibits inflammatory mediators and activates Nrf2/HO-1 pathway in LPS-stimulated RAW 264.7 macrophages
- Rapid Communication
- A new xanthone dimer and cytotoxicity from the stem bark of Calophyllum canum
Articles in the same Issue
- Frontmatter
- Review Article
- The fate of chlorophyll in phytophagous insects goes beyond nutrition
- Research Articles
- Eleven isoquinoline alkaloids on inhibiting tissue factor activity: structure-activity relationships and molecular docking
- Absolute configuration of tetrandrine and isotetrandrine influences their anti-proliferation effects in human T cells via different regulation of NF-κB
- Safflower injection inhibits pulmonary arterial remodeling in a monocrotaline-induced pulmonary arterial hypertension rat model
- Gas chromatography coupled to mass spectrometry (GC-MS) characterization and evaluation of antibacterial bioactivities of the essential oils from Piper arboreum Aubl., Piper aduncum L. e Piper gaudichaudianum Kunth
- Isolation of secondary metabolites from the Iranian medicinal plant Eremurus persicus
- Decumbic anhydride from the stem barks of Swintonia floribunda (Anacardiaceae)
- Phytochemical characterization of different yarrow species (Achillea sp.) and investigations into their antimicrobial activity
- Monitoring of changes in 5-n-alkylresorcinols during wheat seedling development
- Coumaronochromone as antibacterial and carbonic anhydrase inhibitors from Aerva persica (Burm.f.) Merr.: experimental and first-principles approaches
- Ethyl acetate extract from Cistus x incanus L. leaves enriched in myricetin and quercetin derivatives, inhibits inflammatory mediators and activates Nrf2/HO-1 pathway in LPS-stimulated RAW 264.7 macrophages
- Rapid Communication
- A new xanthone dimer and cytotoxicity from the stem bark of Calophyllum canum
