Key result
Troxerutin and Rutin showed better binding energy with Factor Xa than Rivaroxaban (-185.743 and -178.034 kcal/mol vs -149.661 kcal/mol) and prolonged in vitro PT and aPTT coagulation times.
Why the study?
Factor Xa is an important target for the development of new anticoagulants.
Do Quercetin, Rutin, and Troxerutin inhibit Factor Xa and prolong coagulation time in vitro compared to Rivaroxaban?
Do Quercetin, Rutin, and Troxerutin inhibit Factor Xa and prolong coagulation time in vitro compared to Rivaroxaban?
Troxerutin and Rutin demonstrate potential as Factor Xa inhibitors with stronger in silico binding energies than rivaroxaban and corresponding in vitro prolongation of clotting times.
Answers are grounded in this paper and cite their sources.
Quercetin derivatives show FXa inhibition in vitro; hypothesis-generating and leaves open clinical translation as anticoagulants.
Factor Xa is an important target for the development of new anticoagulants. The present study aims to examine the effect of three compounds (Quercetin and its derivatives Rutin and Troxerutin) in comparison with Rivaroxaban on activated Human Clotting factor X (PDB ID: 2w26). Molecular docking was performed using iGemDock v2.1 software to predict their anti-activating factor X activity and Autodock vina software to check the bonds formed. Next, the in vitro biological effects on both PT and aPTT coagulation time were studied. Troxerutin and Rutin showed the best interaction values with 2w26 enzyme, and the binding energy was [(-185.743 kcal/mol) and (-178.034 kcal/mol)], respectively, using iGemDock; While the binding energy of Rivaroxaban was (-149.661 kcal/mol). The results of the in vitro study showed that the studied compounds have an effect in prolonging PT, aPTT compared to both negative and positive control. However, Troxerutin gave the highest prolongation of the evaluated clotting times, consistent with the in silico study the results
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Sabbagh et al. (2022) studied this question. Quercetin, Rutin, and Troxerutin vs. Rivaroxaban was evaluated on Binding energy with 2w26 enzyme and PT/aPTT coagulation time. Troxerutin and Rutin showed better binding energy with Factor Xa than Rivaroxaban (-185.743 and -178.034 kcal/mol vs -149.661 kcal/mol) and prolonged in vitro PT and aPTT coagulation times.
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