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. 2023 Mar 30;21(4):842–866. doi: 10.2174/1570159X21666230221123059

Table 6.

Consensus values calculated from the score energies of the Linalool derivatives under study and their Alzheimer's and Parkinson's disease target enzymes.

Linalool Derivatives
ID Parkinson’s Disease Targets Alzheimer’s Disease Targets
α-Sinuclein Adenosin A2A COMT MAO D1 D2 AChE BACE GSK3 TACE
L1
Linalool
0.6982 0.5122 0.7371 0.5515 0.5352 0.5348 0.3884 0.6826 0.5088 0.5223
L2
Linalyl
0.8525 0.6915 0.9459 0.6701 0.7950 0.6706 0.4968 0.8919 0.6519 0.6514
L3
8-hydroxylinalyl acetate
0.8164 0.8706 0.7698 0.6997 0.6847 0.6711 0.4965 0.9615 0.4677 0.6358
L4
8-oxolinalyl acetate
0.8421 0.7228 0.8037 0.7334 0.6465 0.6804 0.4672 0.8779 0.5782 0.6615
L5
8-carboxylinalyl acetate
1 0.8108 1 0.7250 0.6873 0.6261 0.4815 0.9456 0.3289 0.7393
L6
8-oxo-dihydrolinalool
0.7350 0.6019 0.7679 0.6011 0.5844 0.5740 0.4016 0.8214 0.6054 0.5580
L7
8-oxo-dihydrolinalool
0.6384 0.5901 0.7560 0.5857 0.5929 0.5667 0.4282 0.7627 0.2970 0.5540
L8
8-oxolinalool
0.7212 0.5947 0.6594 0.5845 0.5707 0.5607 0.3800 0.7277 0.5610 0.5597
L9
8-carboxylinalool
0.8377 0.5146 0.9325 0.6282 0.6559 0.5390 0.4186 0.6873 0.3308 0.5518
L10
Tetrahydrolinalool
0.6532 0.5331 0.7345 0.5608 0.4906 0.5363 0.3769 0.6300 0.5164 0.5162
Positive Control 0.8199 0.5 0.8206 0.5356 0.6564 0.6586 0.6660 - - -
PDB Ligand - 0.9386 0.9268 0.5 0.7246 1 1 0.9684 1 1

Note: The molecule with the highest probability is in bold. Compounds with a higher probability than the ligand are in yellow.