Table 2 Table representing comparison between binding energy of anti-aging and anticancer targets and to identify the probable mechanism of action
Molecule | Targets used for molecular docking | ||||||
|---|---|---|---|---|---|---|---|
Binding energy (kCal/mol) of different targets for anti-aging molecular docking | Binding energy (kCal/mol) of different targets for anticancer molecular docking | ||||||
2L7E (Site 2) | 2KM1 (Site 8) | 1AH8 (Site 1) | 6AU4 (Site 6) | 1MP8 (Site 5) | 3SSU (Site 1) | 1ELK (Site 4) | |
Doxorubicin | − 12.6052 | − 16.4337 | − 30.5751 | − 15.4418 | − 21.9661 | − 10.5860 | − 29.5353 |
Metformin | − 9.3988 | − 10.1731 | − 10.2898 | − 11.3161 | − 9.0020 | − 6.2210 | − 9.7292 |
Noscapine | − 12.0867 | − 15.2318 | − 22.3027 | − 11.9761 | − 19.1626 | − 8.6372 | − 18.8927 |
Sirolimus | − 9.5644 | − 13.4799 | − 12.7754 | − 8.0782 | − 12.8416 | − 8.9583 | − 12.1555 |
3-Methyl-4-oxo-pentanoic acid | − 9.6630 | − 9.9277 | − 14.0109 | − 13.5751 | − 13.2413 | − 7.7187 | − 15.2661 |