【摘 要】
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Thrombin acts as a key enzyme in the blood coagulation cascade and represents a potential drug target for the treatment of several cardiovascular diseases.The aim of this study was to identify small-m
【机 构】
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Beijing Key Lab of Traditional Chinese Medicine(TCM)Collateral Disease Theory Research,School of Tra
【出 处】
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世界中医药大会第三届夏季峰会暨大健康博览会
论文部分内容阅读
Thrombin acts as a key enzyme in the blood coagulation cascade and represents a potential drug target for the treatment of several cardiovascular diseases.The aim of this study was to identify small-molecule direct thrombin inhibitors from herbs used in traditional Chinese medicine(TCM).A pharmacophore model and molecular docking were utilized to virtually screen a library of chemicals contained in compositions of traditional Chinese herbs,and these analyses were followed by in vitro bioassay validation and binding studies.Berberine(BBR)was first confirmed as a thrombin inhibitor using an enzymatic assay.The BBR IC50 value for thrombin inhibition was 2.92 μM.Direct binding studies using surface plasmon resonance demonstrated that BBR directly interacted with thrombin with a KD value of 16.39 μM.Competitive binding assay indicated that BBR could bind to the same argartroban/thrombin interaction site.A platelet aggregation assay demonstrated that BBR had the ability to inhibit thrombin-induced platelet aggregation in washed platelets samples.This study proved that BBR is a direct thrombin inhibitor that has activity in inhibiting thrombin-induced platelet aggregation.BBR may be a potential candidate for the development of safe and effective thrombin-inhibiting drugs.
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