Table 3 Results of molecular docking
Compounds | Targets | Binding energy (kcal/mol) | Hydrogen bonds | Hydrophobic interactions |
|---|---|---|---|---|
CA | CDC42 (4js0) | − 7.5 | Asp11, Asp11, Ser88, Asn92, Gln116 | – |
CA | PTK2 (6i8z) | − 7.3 | Lys485, Leu486, Ser555, Lys-561 | Tyr415, Leu449, Lys485, Ile487, Ile487, Glu500 |
CA | CSF1R (7mfc) | − 7.9 | Asp670, Arg801, Arg801, Asp806, Asn808 | Leu672, Arg782, Phe797, Arg801 |
Iso-CA | CSF1R (7mfc) | − 8.0 | Asp670, Arg801, Arg801, Asn808 | Leu672, Arg782, Phe797, Arg801 |