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[Preprint]. 2020 Mar 20:10.26434/chemrxiv.12009582.v1. [Version 1] doi: 10.26434/chemrxiv.12009582

Table 3.

Six selected compounds with the highest minimum docking scores, annotated with their marketing approval status, indications, most frequently observed side effects, minimum docking score, and average docking score. Docking scores provide a rough estimation of binding energy (ΔG, kcal/mol) [27,28]. Lower scores indicate higher binding affinity. Docking scores may vary depending on the system, however generally scores less than −7.5 indicate high affinity binding.

Name Status Indication1 Side Effects2 Min Score Avg Score
Otamixaban Experimental Thrombosis Catheter site hematoma −10.81 −7.29
Gastrointestinal hemorrhage
Vascular pseudoaneurysm
Argatroban Marketed Thrombosis Increased INR −8.45 −6.29
Heparin induced thrombocytopenia Prolonged aPTT
Hemorrhage
Nafamostat Marketed Disseminative blood vessel coagulation Platelet count decreased −8.14 −5.08
Abnormal hepatic function
Letaxaban Experimental Thrombosis Angina Pectoris −7.60 −6.26
Epistaxis
Venous thromboembolism Hematuria
Darexaban Experimental Thrombosis Bleeding events −6.67 −5.83
Venous thromboembolism
Edoxaban Marketed Thromboembolism Gastrointestinal hemorrhage −6.62 −5.43
Epistaxis
Deep vein thrombosis
Rash
1

Indications were compiled from FDA drug labels and clinical trial records.

2

Side effects were compiled from the FDA adverse event reporting system (FAERS) and clinical trial records.