Table 1.
Proteins | Doxorubicin | EFD | Amino Acid Residues Involved in the Binding Pocket Interactions |
---|---|---|---|
BAX | −9.0 | −7.9 | ILE(A:133), ARG(A:134), GLN(A:32). LYS(A:128), GLU(A:41), LEU(A:125), PRO(A:130), ALA(A:35), MET(A:38) |
BCL-2 | −8.5 | −8.1 | ARG(A:129), GLY(A:8), TYR(A:120), GLU(A:9), PHE(A:128), LEU(A:11), VAL(A:10), PRO(A:125) |
NF-κB | −2.0 | −1.9 | ASP(B:129), PRO(B:127), LYS(B:128) |
P53 | −7.6 | −8.5 | THR(A:329), PHE(A:328), LEU(A:330), ASN(A:345), HOH(A:1004), HOH(A:1010), ARG(A:342), PHE(A:338), ILE(A:332),PHE (A:338) |
Note: Binding energy (E-value) is represented as kcal/mol.