Research Article
Treatment of Rheumatoid Arthritis with Traditional Chinese Medicine
Table 1
Dock score and other criteria used in screening the TCM database for the top twenty candidates.
| | Name | Dock score | -PLP1 | -PLP2 | H-bond forming residues | H-bond quantity | Pi forming residues |
| | Calycosin | 43.247 | 56.29 | 54.8 | Glu144, Gln147, Ala160 | 3 | GLN158 | | Valerophenone-o-carboxylic_acid | 42.473 | 35.29 | 34.33 | Ala160 | 2 | — | | Senkyunolide_D | 41.848 | 39.67 | 41.1 | Glu144 | 1 | — | | p-Hydroxyphenethyl_trans-ferulate | 41.789 | 44.6 | 43.56 | Glu144 | 1 | — | | Coniferyl_ferulate | 41.717 | 54.16 | 59 | Asn110, Glu144, Gln147, Gln158 | 5 | — | | Riligustilide | 41.56 | 48.51 | 45.81 | — | 0 | — | | Ferulic_acid | 41.345 | 48.61 | 46 | Glu144, Ala160 | 2 | — | | Angeliferulate | 40.976 | 46.41 | 40.02 | Gln147, Gln158 | 3 | — | | Sinaspirolide | 40.283 | 45.76 | 42.57 | — | 0 | — | | Senkyunolide_P | 40.067 | 46.2 | 41.59 | Asn110 | 1 | — | | Angelicide | 39.634 | 43.26 | 43.72 | Asn110 | 1 | — | | Senkyunolide_H | 39.53 | 46.55 | 41.92 | Glu144, Ala160 | 5 | — | | Senkyunolide-I | 39.471 | 34.44 | 33.41 | Glu144, Ala160 | 3 | — | | 6_7-Ditydroxyligustide | 38.932 | 48.1 | 50.08 | Glu144, Gln147, Gln158 | 4 | — | | Vanillic_acid | 38.163 | 36.88 | 34.7 | Glu144, Gln158 | 2 | — | | Ononin | 38.015 | 23.01 | 25.02 | Glu144 | 2 | — | | Senkyunolide_I | 37.198 | 29.15 | 34.73 | Glu144, Ala160 | 3 | — | | 3-Butylidene-4-hydro-phthalide | 36.452 | 30.55 | 29.62 | Asn110, Glu144 | 2 | — | | Senkyunolide_F | 35.047 | 30.92 | 36.36 | Glu144, Ala160 | 2 | — | | Formononetin | 34.358 | 53.75 | 50.82 | Aln147 | 1 | Gln158 |
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