Research Article
Antimicrobial Activity of 4-Chlorocinnamic Acid Derivatives
Table 4
Compounds 1-12 with docking score, interaction data, and distance between the protein residues.
| | Compounds | PLANT Score | M. Dock Score | Rerank Score | Amino acid | Group involved | Distance (Å) |
| | 1 | -76.5806 | -92.0557 | -65.2081 | H2O175 (O) | CO(O) | 3.11 |
| | 2 | -71.2322 | -98.2911 | -32.276 | Thr 260 (O) | CO(O) | 3.22 | | H2O87 (O) | CO(O) | 2.66 |
| | 3 | -78.216 | -93.7199 | -71.2272 | H2O87 (O) | CO(O) | 3.01 |
| | 4 | -73.6695 | -95.7275 | -61.0177 | H2O87 (O) | CO(O) | 3.08 | | Thr 260 (O) | CO(O) | 3.07 |
| | 5 | -82.0128 | -105.117 | -76.2732 | H2O87 (O) | CO(O) | 3.00 | | Thr 260 (O) | CO(O) | 2.98 |
| | 6 | -77.3574 | -93.9184 | -71.3815 | H2O175 (O) | CO(O) | 2.76 | | H2O87 (O) | O-2 | 2.87 |
| | 7 | -83.0449 | -118.622 | -86.715 | H2O87 (O) | CO(O) | 2.96 |
| | 8 | -92.9589 | -140.652 | -102.107 | Thr 260 (O) | CO(O) | 2.97 | | H2O87 (O) | CO(O) | 3.00 | | H2O87 (O) | O | 3.34 |
| | 9 | -84.0241 | -108.849 | -84.857 | H2O175 (O) | CO(O) | 2.82 |
| | 10 | -77.7839 | -113.068 | -59.4905 | Gln 72 (N) | CO(O) | 2.69 | | H2O175 (O) | CO(O) | 3.12 | | H2O175 (O) | O-1 | 3.31 | | H2O87 (O) | O-2 | 3.52 |
| | 11 | -85.142 | -115.206 | -85.2394 | Gln 72 (N) | CO(O) | 2.98 | | H2O175 (O) | O | 3.09 |
| | 12 | -81.6806 | -131.112 | -91.5155 | H2O175 (O) | O | 3.59 |
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