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Table 4 Scoring functions of the top ten candidates from TCM database screening of PON2 protein structure

From: Susceptible gene of stasis-stagnation constitution from genome-wide association study related to cardiovascular disturbance and possible regulated traditional Chinese medicine

Name -PLP1 -PLP2 -PMF Dock Score
Divaricatacid 66.24 64.27 139.09 59.236
13-hydroxy-(9E_11E)-octadecadienoic acid 76.84 79.89 137.40 27.758
9-hydroxy-(10E)-octadecenoic acid 68.05 70.50 132.62 34.441
10-hydroxy-(8E)-octadecenoic acid 73.47 76.87 132.32 39.635
11-hydroxy-(9Z)-octadecenoic acid 86.85 85.40 130.44 32.403
Divaricataester A 75.03 66.69 124.91 55.187
8-hydroxy-(9E)-octadecenoic acid 51.03 59.33 124.80 36.94
Benzyl-O-beta-D-glucopyranoside 57.08 53.02 122.42 47.813
Alismorientols A 52.95 58.02 118.54 26.339
1-O-beta-D-glucopyranosyloxy-3-methylbut-2-en-1-ol 55.51 47.42 117.38 41.243
PMF; potential of mean force; PLP, piecewise linear potential