Research Article
Computational Drug Repurposing Approach to Identify Novel Inhibitors of ILK Protein for Treatment of Esophageal Squamous Cell Carcinoma
Table 2
The top 10 drugs with minimum binding energy to the ILK crystal.
| No. | Generic name | Molecular formula | Binding energy (kcal/mol) |
| d1 | Nilotinib | C28H22F3N7O | −10.5 | d2 | Teniposide | C32H32O13S | −10.3 | d3 | Doxycycline | C22H24N2O8 | −9.9 | d4 | Celsentri | C29H41F2N5O | −9.8 | d5 | Saquinavir | C38H50N6O5 | −9.8 | d6 | Lumacaftor | C24H18F2N2O5 | −9.7 | d7 | Rolapitant | C25H26F6N2O2 | −9.7 | d8 | SQV | C38H50N6O5 | −9.7 | d9 | Netupitant | C30H32F6N4O | −9.7 | d10 | Raltegravir | C20H21FN6O5 | −9.7 |
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