Table 9.
Molecular docking calculation of 2BT-Rhodanine system with various proteins.
Protein Name | Code | Interaction energy Etot(kcal/mol) | EH-bond | EVDW | EElect |
---|---|---|---|---|---|
COX-2 | 3LN1 | −98.37 | −91.06 | −7.30 | 0 |
5-LOX | 3V92 | −91.07 | −72.01 | −15.10 | −3.95 |
Human immunodeficiency virus type 1 | 1DLO | −86.23 | −74.29 | −11.29 | 0 |
Bat SARS-like coronavirus | 6UL7 | −85.09 | −74.51 | −8.71 | −1.86 |
Feline leukemia virus | 1LCS | −82.22 | −70.03 | −10.65 | −1.53 |
Friend murine leukemia virus | 1AOL | −76.90 | −63.29 | −10.07 | −3.52 |