Potential Material Basis of Yupingfeng Powder for the Prevention and Treatment of 2019 Novel Coronavirus Pneumonia: A Study Involving Molecular Docking and Molecular Dynamic Simulation Technology

Table 1

Main active component information of Yuping wind powder.

Herbs	TCMSP ID	Compound	OB	DL	Targets
Fangfeng	MOL011737	Divaricatacid	87	0.32	5
Huangqi	MOL000378	7-O-methylisomucronulatol	74.69	0.3	45
Huangqi	MOL000392	Formononetin	69.67	0.21	39
Huangqi	MOL000433	Folic acid	68.96	0.71	3
Fangfeng	MOL000011	(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one	68.83	0.66	18
Huangqi	MOL000380	(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol	64.26	0.42	22
Baizhu	MOL000022	14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol	63.37	0.3	1
Fangfeng	MOL011732	Anomalin	59.65	0.66	7
Huangqi	MOL000211	Mairin	55.38	0.78	1
Baizhu	MOL000049	3β-Acetoxyatractylone	54.07	0.22	16
Huangqi	MOL000371	3,9-Di-O-methylnissolin	53.74	0.48	23
Huangqi	MOL000239	Jaranol	50.83	0.29	13
Fangfeng	MOL011730	11-Hydroxy-sec-o-beta-d-glucosylhamaudol_qt	50.24	0.27	7
Huangqi	MOL000354	Isorhamnetin	49.6	0.31	35
Huangqi	MOL000439	Isomucronulatol-7,2-di-O-glucosiole	49.28	0.62	1
Huangqi	MOL000417	Calycosin	47.75	0.24	22
Huangqi	MOL000098	Quercetin	46.43	0.28	151
Fangfeng	MOL001942	Isoimperatorin	45.46	0.23	1
Fangfeng	MOL011749	Phelloptorin	43.39	0.28	5
Fangfeng	MOL001494	Mandenol	42	0.19	3
Huangqi	MOL000422	Kaempferol	41.88	0.24	62
Fangfeng	MOL002644	Phellopterin	40.19	0.28	12
Fangfeng	MOL007514	Methyl icosa-11,14-dienoate	39.67	0.23	1
Fangfeng	MOL013077	Decursin	39.27	0.38	16
Huangqi	MOL000442	1,7-Dihydroxy-3,9-dimethoxy pterocarpene	39.05	0.48	4
Fangfeng	MOL011753	5-O-Methylvisamminol	37.99	0.25	24
Huangqi	MOL000296	Hederagenin	36.91	0.75	22
Fangfeng	MOL000359	Sitosterol	36.91	0.75	3
Fangfeng	MOL000358	Beta-sitosterol	36.91	0.75	37
Huangqi	MOL000379	9,10-Dimethoxypterocarpan-3-O-β-D-glucoside	36.74	0.92	3
Fangfeng	MOL003588	Prangenidin	36.31	0.22	15
Huangqi and Baizhu	MOL000033	(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	36.23	0.78	1
Baizhu	MOL000072	8β-Ethoxy atractylenolide III	35.95	0.21	5
Fangfeng	MOL001941	Ammidin	34.55	0.22	8
Fangfeng	MOL011747	Ledebouriellol	32.05	0.51	14
Fangfeng	MOL011740	Divaricatol	31.65	0.38	16
Huangqi	MOL000387	Bifendate	31.1	0.67	7
Fangfeng	MOL000173	Wogonin	30.68	0.23	45