Table 1 Putative inhibitors of VP24, along with their structures, docking scores from four docking software packages, and primary targets
Drug name | Structure | Docking score | Primary target | |||
|---|---|---|---|---|---|---|
Surflex | Plants | Vina | Auto dock | |||
Montelukast |
| 8.6 | −102.97 | −6.6 | −5.11 | Human leukotriene receptor |
Indinavir |
| 8.2 | −98.66 | −6.5 | −6.98 | HIV protease |
Iloprost |
| 7.5 | −97.91 | −6.1 | −7.24 | Human Prostacyclin receptor |
hSalmeterol Xinafoate |
| 7.0 | −95.99 | −5.3 | −4.59 | Human beta-2 adrenergic receptor |
Travoprost |
| 7.2 | −95.92 | −6.5 | −5.21 | Human prosaglandin F2-alpha receptor |
Latanoprost |
| 7.8 | −95.68 | −6.1 | −5.61 | Human prosaglandin F2-alpha receptor |
Remikiren |
| 7.3 | −95.29 | −6.7 | −4.59 | Human renin |
Vitamin K1 |
| 7.2 | −92.93 | −6.1 | −6.34 | Human Vitamin K-dependent carboxylase |
Mitoxantrone |
| 9.9 | −92.07 | −6.0 | −7.42 | Human DNA topoisomerase 2α |
Labetalol hydrochloride |
| 7.7 | −90.8 | −6.0 | −6.36 | Human 1,1,2 adrenergic receptor |
Tafluprost |
| 8.1 | −90.7 | −5.9 | −5.36 | Human prosaglandin F2-alpha receptor |
Misoprostol |
| 7.1 | −89.75 | −5.4 | −4.09 | Human prostaglandin E2 receptor |
Carboprost |
| 7.3 | −89.6 | −5.5 | −5.18 | Human prostaglandin E2 receptor |
Fosinopril |
| 6.9 | −88.92 | −6.8 | −6.85 | Human angiotension-converting enzyme |
Benzylpenicilloyl Polylysine |
| 6.9 | −88.71 | −6.4 | −6.34 | Human immunoglobulin receptor |
Bimatoprost |
| 6.8 | −88.37 | −6.0 | −5.82 | Human prosaglandin F2-receptor |
Nebivolol |
| 7.2 | −88.06 | −5.6 | −8.13 | Human beta-1 adrenergic receptor |
Valrubicin |
| 6.8 | −87.08 | −7.1 | −7.32 | Human DNA topoisomerase 2α |
Tamsulosin |
| 6.8 | −87.02 | −6.3 | −6.45 | Human Alpha-1A adrenergic receptor |
Mycophenolate Mofetil |
| 7.4 | −86.87 | −5.9 | −6.04 | Human Inosine-5’-monophosphate dehydrogenase |
