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 |
| Argatroban | Marketed | Thrombosis | Increased INR | −8.45 | −6.29 |
| Nafamostat | Marketed | Disseminative blood vessel coagulation | Platelet count decreased | −8.14 | −5.08 |
| Letaxaban | Experimental | Thrombosis | Angina Pectoris | −7.60 | −6.26 |
| Darexaban | Experimental | Thrombosis | Bleeding events | −6.67 | −5.83 |
| Edoxaban | Marketed | Thromboembolism | Gastrointestinal hemorrhage | −6.62 | −5.43 |
Indications were compiled from FDA drug labels and clinical trial records.
Side effects were compiled from the FDA adverse event reporting system (FAERS) and clinical trial records.