Research Article
In Silico Design for Adenosine Monophosphate-Activated Protein Kinase Agonist from Traditional Chinese Medicine for Treatment of Metabolic Syndromes
Table 1
Top 7 candidates of scoring function from TCM Database@Taiwan screening. (ADMET_absorption level 0 to 3: good to very low absorption.)
| | Name | ADMET_Absorption_Level | Dock score | PLP1 | PLP2 | PMF |
| | Eugenyl_beta-D-glucopyranoside | 0 | 58.932 | 73.12 | 78.35 | 66.59 | |
6-O-Cinnamoyl-D-glucopyranose | 0 | 60.305 | 72.41 | 70.61 | 66.65 | | Loroglossin | 1 | 69.903 | 74.94 | 71.77 | 72.83 | | Eleutheroside B | 1 | 66.207 | 92.33 | 93.2 | 72.04 | | Quercetin-3-O-glucopyranoside | 1 | 62.949 | 85.39 | 87.14 | 66.12 | | Synapic aldehyde 4-O-bata-D-glucopyranoside | 1 | 62.262 | 94.7 | 94.75 | 73.44 | | (−)-9alpha-Hydroxysophocarpine | 1 | 59.13 | 80.89 | 74.13 | 63.9 |
| | AMP | 3 | 57.025 | 72.1 | 69.07 | 62.96 |
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