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

∗Control.