Table 2. Docking scores (binding affinity) obtained from AutoDock vina and Molegro Virtual Docker

Compounds Tyrosinase (2Y9X) Elastase (7EST) Keap1 (4L7B)
AutoDock vina (kcal/mol) MolDock score AutoDock vina (kcal/mol) MolDock score AutoDock vina (kcal/mol) MolDock score
Control −6.291 −117.761 −7.791 −159.534 - -
GPA −5.787 −136.593 −5.906 −123.292 −7.332 −142.663
GNP −5.706 −89.3623 −4.802 −84.4652 −6.829 −94.3235
GPS −5.900 −124.877 −5.776 −131.052 −7.382 −144.97
GGB −7.158 −183.568 −6.747 −169.962 −9.015 −182.042
GDS −6.088 −130.623 −5.586 −128.839 −7.555 −134.321
SME −6.527 −128.855 −5.93 −113.334 −7.695 −132.486
HGP −7.503 −130.287 −7.376 −147.642 −8.267 −143.368
CGG −8.234 −181.803 −7.908 −180.229 −9.6 −203.344
FGP −7.471 −192.927 −7.716 −186.736 −9.89 −221.039
JAF −6.463 −123.677 −5.937 −117.562 −7.881 −124.868
JAD −5.750 −113.253 −5.579 −113.645 −7.266 −136.266
JAB −6.337 −125.235 −5.908 −115.672 −8.505 −134.002
JAJ −6.950 −121.767 −6.220 −114.102 −7.543 −121.284
JOD( −5.962 −84.7356 −4.564 −73.8951 −5.902 −74.8148
GDA −5.448 −104.417 −4.331 −93.1263 −5.761 −96.7116
PCA −6.544 −121.496 −6.324 −123.975 −7.185 −131.141
JAH −7.540 −153.397 −6.675 −156.559 −9.26 −168.214
CCC −5.576 −81.5037 −4.363 −67.4353 −5.746 −68.8365
JAA −6.891 −121.386 −6.226 −115.938 −7.629 −120.537
JSC −7.736 −161.336 −7.577 −163.887 −8.588 −172.457
MDJ −5.443 −99.8238 −5.286 −110.079 −5.727 −112.047
HEA −5.695 −98.4599 −5.438 −108.31 −6.357 −113.148
RUT −8.049 −175.57 −8.155 −178.454 −10.573 −182.62
QBG −6.407 −139.312 −6.876 −145.485 −8.489 −167.348
CCT −6.435 −104.981 −6.617 −109.428 −7.693 −133.75
CRA −6.811 −206.85 −7.605 −240.501 −8.02 −240.031
QNA −5.829 −91.9463 −4.768 −84.8125 −6.762 −85.0865
TOG −5.757 −129.318 −5.298 −126.23 −6.494 −132.983
HEG −5.992 −119.991 −5.706 −122.731 −7.28 −140.873
CQA −6.853 −123.629 −6.637 −132.161 −8.263 −134.22
PTA −5.946 −82.1807 −5.102 −77.667 −6.043 −71.5167
CGA −7.067 −130.639 −6.305 −135.724 −8.764 −160.314
DQA −8.295 −179.461 −6.829 −167.728 −10.474 −203.008
LLA −5.567 −126.156 −5.138 −120.987 −5.878 −118.694
PDA( −4.703 −103.059 −3.959 −100.763 −5.087 −102.984
LNA −5.762 −122.852 −4.766 −117.024 −5.78 −118.83
AUA −7.475 −115.992 −7.582 −103.289 −8.168 −127.449
PMA −4.806 −116.483 −4.329 −103.921 −5.629 −110.638
EPA −4.934 −118.277 −4.540 −117.628 −5.561 −114.868