Research Article
Lead Screening for HIV-1 Integrase (IN) Inhibited by Traditional Chinese Medicine
Table 1
The score of molecular docking and bioactivity of prediction.
| Name | DockScore | SVM | MLR | Herb |
| (S)-cathinone | 87.568 | 7.513 | 8.058 | Ephedra sinca stapf | (1S,2S)-norpseudoephedrine | 80.074 | 7.262 | 6.689 | Ephedra sinca stapf | Octopamine | 81.861 | 7.093 | 6.950 | FRUCTUS AURANTII | Noradrenaline | 95.291 | 6.955 | 5.746 | Portulaca oleracea | P-synephrine | 77.385 | 6.814 | 4.015 | FRUCTUS AURANTII | 3,4,5-Trimethoxy benzeneethanamine | 83.352 | 6.738 | 13.406 | Myristica fragrans | D77* | 74.525 | 6.667 | −11.476 | | Raltegravir* | 43.285 | 6.482 | −9.812 | |
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Control.
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