Table 3 Binding affinity energies (in kcal/mol) of shortlisted furanocoumarin compounds against ERα, PR, EGFR and mTOR as cancer target sites.
Phytochemicals (Furanocoumarins) | Structure | Binding affinity (in kcal/mol) | |||
|---|---|---|---|---|---|
ERα | PR | EGFR | mTOR | ||
XAN |
| −13.556 | −18.1096 | −14.0949 | −12.4596 |
BER |
| −13.0723 | −13.0489 | −12.6202 | −15.8240 |
ANG |
| −12.0107 | −11.6317 | −12.5955 | −13.6447 |
PSO |
| −11.9384 | −14.2120 | −13.5405 | −14.1905 |
IMP |
| −11.9196 | −12.4716 | −13.1183 | −16.6907 |
