TABLE 2.
The top leading repurposed drug candidates predicted to be effective against NS3 and NS5 Protein of DENV with information such as drugbank ID, drug name, primary indication, predicted pIC50, and their current testing status.
| DrugBank_ID | Target_Protein | Drug name | Primary indication | Predicted_pIC50 (ANN) | Predicted_pIC50 (SVM) | Status |
|---|---|---|---|---|---|---|
| DB01141 | NS3 | Micafungin | Treating candidemia, acute disseminated candidiasis, and other invasive Candida infections | 7.818 | 6.743 | Experimental |
| DB00035 | NS3 | Desmopressin | Synthetic vasopressin analog reduces water excretion in diabetes insipidus and nocturia | 6.139 | 5.978 | Computational |
| DB00362 | NS3 | Anidulafungin | Treatment of several types of candida infections | 5.635 | 5.6 | Experimental |
| DB00482 | NS3 | Celecoxib | NSAID for arthritis, pain, menstrual symptoms, and polyp reduction | 5.476 | 5.263 | Experimental and computational |
| DB08911 | NS3 | Trametinib | Kinase inhibitor for BRAF-mutated cancers like melanoma and non-small cell lung cancer, used alone or with dabrafenib | 5.425 | 5.177 | Experimental |
| DB00696 | NS3 | Ergotamine | Alpha-1 adrenergic agonist for treating migraines with or without aura and cluster headaches | 5.375 | 5.105 | Computational |
| DB00520 | NS3 | Caspofungin | Echinocandin treats various fungal infections | 5.261 | 5.505 | Experimental |
| DB00796 | NS3 | Candesartan cilexetil | For hypertension, left ventricular hypertrophy, and delaying diabetic nephropathy | 5.15 | 5.102 | Experimental |
| DB00091 | NS3 | Cyclosporine | Used in transplants and inflammatory conditions including ulcerative colitis, rheumatoid arthritis, and atopic dermatitis | 5.144 | 5.452 | Experimental |
| DB00471 | NS3 | Montelukast | Treating asthma, preventing exercise-induced bronchoconstriction, and managing seasonal allergic rhinitis | 5.12 | 5.141 | Experimental and computational |
| DB01017 | NS5 | Minocycline | Wide variety of infections | 5.711 | 5.732 | Experimental |
| DB00254 | NS5 | Doxycycline | Wide variety of infections | 5.643 | 5.68 | Experimental |
| DB01263 | NS5 | Posaconazole | Invasive infections by Candida species and Aspergillus species | 5.529 | 5.506 | Experimental |
| DB00997 | NS5 | Doxorubicin | Treating various cancers like AIDS-associated Kaposi’s Sarcoma and metastatic cancers | 4.997 | 5.027 | Experimental and computational |
| DB00686 | NS5 | Pentosan polysulfate | For relieving bladder pain or discomfort from interstitial cystitis | 4.478 | 4.853 | Experimental |
| DB00811 | NS5 | Ribavirin | For managing chronic HCV infection | 3.526 | 3.737 | Experimental |