A Series of Natural Flavonoids as Thrombin Inhibitors: Structure-activity relationships
Abstract A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and quercetin have shown to be the best thrombin inhibitors tested. In order to investigate the thrombin recognition of the most active and selective...
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| Published in | Thrombosis research Vol. 126; no. 5; pp. e365 - e378 |
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| Main Authors | , , , , , , |
| Format | Journal Article |
| Language | English |
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United States
Elsevier Ltd
01.11.2010
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| Subjects | |
| Online Access | Get full text |
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| Abstract | Abstract A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and quercetin have shown to be the best thrombin inhibitors tested. In order to investigate the thrombin recognition of the most active and selective compounds, a molecular modeling study has been performed using available Protein Data Bank (PDB) structures as receptor models for docking experiments. Structure-activity relationships of flavonoids (SARs) on thrombin would facilitate the design of chemical compounds with higher potency to serve as potential thrombin inhibitors, and provide information for the exploitation and utilization of flavonoids as thrombin inhibitors for thrombotic disease treatment. |
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| AbstractList | Abstract A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and quercetin have shown to be the best thrombin inhibitors tested. In order to investigate the thrombin recognition of the most active and selective compounds, a molecular modeling study has been performed using available Protein Data Bank (PDB) structures as receptor models for docking experiments. Structure-activity relationships of flavonoids (SARs) on thrombin would facilitate the design of chemical compounds with higher potency to serve as potential thrombin inhibitors, and provide information for the exploitation and utilization of flavonoids as thrombin inhibitors for thrombotic disease treatment. A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and quercetin have shown to be the best thrombin inhibitors tested. In order to investigate the thrombin recognition of the most active and selective compounds, a molecular modeling study has been performed using available Protein Data Bank (PDB) structures as receptor models for docking experiments. Structure-activity relationships of flavonoids (SARs) on thrombin would facilitate the design of chemical compounds with higher potency to serve as potential thrombin inhibitors, and provide information for the exploitation and utilization of flavonoids as thrombin inhibitors for thrombotic disease treatment. |
| Author | Tang, Yuping Yang, Nianyun Liu, Li Duan, Jin'ao Tao, Weiwei Guo, Jianming Ma, Hongyue |
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| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/20828797$$D View this record in MEDLINE/PubMed |
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| Keywords | MolDock Flavonoids structure-activity relationships traditional Chinese medicines MD SARs MVD Thrombin inhibitors TCM Molegro Virtual Docker Structure-activity relationships |
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| Snippet | Abstract A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and... A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and quercetin have... |
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| SubjectTerms | Animals Crystallography, X-Ray Flavonoids Flavonoids - chemistry Flavonoids - pharmacology Hematology, Oncology and Palliative Medicine Humans Male Models, Molecular Rabbits Structure-Activity Relationship Structure-activity relationships Thrombin - antagonists & inhibitors Thrombin - chemistry Thrombin inhibitors |
| Title | A Series of Natural Flavonoids as Thrombin Inhibitors: Structure-activity relationships |
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