ArticleMolecules (Basel, Switzerland)2020
Study on Structure Activity Relationship of Natural Flavonoids against Thrombin by Molecular Docking Virtual Screening Combined with Activity Evaluation In Vitro.
Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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13 citing papers in PubMed, 37 citations in OpenAlex.
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- Identification, screening, and comprehensive evaluation of novel thrombin inhibitory peptides from the hirudo produced using pepsin.Frontiers in pharmacology · 2024Article
- Lipid-Based Delivery Systems for Flavonoids and Flavonolignans: Liposomes, Nanoemulsions, and Solid Lipid Nanoparticles.Pharmaceutics · 2023Review
- Flavonol and A-type procyanidin-rich extracts ofFrontiers in pharmacology · 2023Article
- Phytochemical Analysis of the Methanolic Extract and Essential Oil from Leaves of Industrial HempPlants (Basel, Switzerland) · 2022Article
- A combined application of molecular docking technology and indirect ELISA for the serodiagnosis of bovine tuberculosis.Journal of veterinary science · 2022Article
- Ecological roles of secondary metabolites ofPeerJ · 2022Article
- The Effects ofAntioxidants (Basel, Switzerland) · 2021Article
- Bioactive Natural Compounds with Antiplatelet and Anticoagulant Activity and Their Potential Role in the Treatment of Thrombotic Disorders.Life (Basel, Switzerland) · 2021Review
- Food Containing Bioactive Flavonoids and Other Phenolic or Sulfur Phytochemicals With Antiviral Effect: Can We Design a Promising Diet Against COVID-19?Frontiers in nutrition · 2021Review
- Flavonoids: A complementary approach to conventional therapy of COVID-19?Phytochemistry reviews : proceedings of the Phytochemical Society of Europe · 2021Review
- Complexity of active medicinal ingredients in radix scutellariae with sodium hydrosulfite exposure.PloS one · 2020Article
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
Abstract
Thrombin, a key enzyme of the serine protease superfamily, plays an integral role in the blood coagulation cascade and thrombotic diseases. In view of this, it is worthwhile to establish a method to screen thrombin inhibitors (such as natural flavonoid-type inhibitors) as well as investigate their structure activity relationships. Virtual screening using molecular docking technique was used to screen 103 flavonoids. Out of this number, 42 target compounds were selected, and their inhibitory effects on thrombin assayed by chromogenic substrate method. The results indicated that the carbon-carbon double bond group at the C2, C3 sites and the carbonyl group at the C4 sites of flavones were essential for thrombin inhibition, whereas the methoxy and O-glycosyl groups reduced thrombin inhibition. Noteworthy, introduction of OH groups at different positions on flavonoids either decreased or increased anti-thrombin potential. Myricetin exhibited the highest inhibitory potential against thrombin with an IC
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