Research Article
Antibacterial Mechanisms of Constituents from Galla chinensis Revealed by Experimental and Virtual Screening-Based Studies
Table 3
The top 10 putative target proteins identified by molecular docking via Schrödinger suit.
| | Protein-chemical component | Docking score | Glide score | Glide model |
| | 1v4a-1,2, 4,6-tetra-O-galloyl-β-D-glucose (TGG, WBZ3) | −8.536 | −8.754 | −118.370 | | 1v4a-1,2,3,4,6-penta-O-galloyl-β-D-glucose (PGG, WBZ4) | −7.855 | −8.107 | −129.318 | | 2gfp-2-hydroxy-6-pentadecyl benzoic acid (WBZ14) | −6.698 | −6.76 | −44.914 | | 2nro-epigallocatechin gallate (WBZ8) | −6.632 | −6.71 | −77.118 | | 2nya-linolenic acid (WBZ35) | −6.029 | −6.033 | −131.219 | | 3ca8-benzoic acid (WBZ10) | −5.42 | −5.416 | −88.027 | | 2opx-Ginkgol (WBZ46) | −4.461 | −4.462 | −41.862 | | 1nlm- linoleic acid (WBZ34) | −2.026 | −2.029 | −46.247 | | 2zm5- linolenic acid (WBZ35) | −2.02 | −2.024 | −47.054 | | 2imo- linolenic acid (WBZ35) | −0.179 | −0.183 | −25.215 | | 1ghh- linolenic acid (WBZ35) | 0.592 | 0.988 | −21.427 |
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