Journal of Food Bioactives, ISSN 2637-8752 print, 2637-8779 online
Journal website www.isnff-jfb.com

Original Research

Volume 31, September 2025, pages 76-87

Herbal formula volatile oil inhibit SARS-CoV-2 viral entry and replication in vitro

Figures

Figure 1.
Figure 1. Workflow of this study.
Figure 2.
Figure 2. SARS-CoV-2 infection cycle.
Figure 3.
Figure 3. Target screening of volatile oil against SARS-CoV-2. (a) Jinlian Hua inhibited the activity of Mpro/3cL at maximal levels. (b) Hangbai Ju inhibited the activity of ACE2 at maximal levels(c) Jinyin Hua inhibited the activity of Cathepsin L at maximal levels. (d) Ai Ye inhibited the activity of Furin at maximal levels. The data represent results combined from three independent experiments. *p < 0.05, **p < 0.01, ***p < 0.001 compared to 100% enzyme acitvity control.
Figure 4.
Figure 4. Combination of volatile oil inhibits SARS-CoV-2 pseudoviral infectivity in vitro.
Figure 5.
Figure 5. Cell viability were determined using CCK-8 assays. Values are percent changes above the control (DMSO, 0.1%) as the mean ± SD of three independent experiments. *p < 0.05 and **p < 0.01 compared to control cells.
Figure 6.
Figure 6. Molecular docking of representative components of Jinyin Hua, Jinlian Hua, Ai Ye and Hangbai Ju with Cathespin L, Mpro/3cL, Furin and ACE2 Proteins, respectively.

Tables

Table 1. Molecular docking results of the essential Oil from Hangbai Ju with ACE2
 
NumberIDNAMEglide ligand efficiencyglide gscoreglide energy
1CHEBI:171934Isocyclocitral−0.364−4.007−17.951
2CHEBI:897731,2-Dihydro-1,1,6-trimethylnaphthalene−0.277−3.596−17.596
3CHEBI:167345Cedrene−0.238−3.564−19.948
4CHEBI:167347Gamma-Selinene−0.226−3.383−15.157
5CHEBI:10357(−)-Beta-caryophyllene−0.187−2.807−9.286
6CHEBI:180521D6-Ambrettolide−0.154−2.763−12.213
7CHEBI:63190(+)-Beta-caryophyllene−0.179−2.68−10.828
8CHEBI:62224(−)-7-Epi-alpha-selinene−0.175−2.629−15.377
9CHEBI:62757Alpha-curcumene−0.169−2.529−17.887
10CHEBI:64361Beta-sesquiphellandrene−0.164−2.465−15.725
11CHEBI:84851Ethyl linolenate−0.085−1.862−30.722
12CHEBI:31572Ethyl linoleate−0.071−1.552−25.76
13CHEBI:34687Dibutyl phthalate−0.034−0.681−27.935
14CHEBI:32936Tetracosane0.0010.013−26.007
15CHEBI:46050Docosane0.0020.037−22.23
16CHEBI:17327Phytol0.0290.611−25.452
17CHEBI:39238(Z,E)-Alpha-farnesene0.0490.742−17.625
18CHEBI:17351Linoleic acid0.0711.42−22.532
19CHEBI:69080Methyl linoleate0.0721.515−25.416
20CHEBI:10418Trans-beta-farnesene0.1111.669−18.428
21CHEBI:30813Decanoic acid0.1611.927−14.954
22CHEBI:15756Hexadecanoic acid0.1332.394−21.115
23CHEBI:43619Icosane0.1543.077−22.779
24CHEBI:16148Heptadecane0.1893.221−20.402
25CHEBI:32927Nonadecane0.1713.249−21.935
26CHEBI:32926Octadecane0.1893.405−20.733
27CHEBI:1322932-Methylicosane0.1623.407−21.296

 

Table 2. Molecular docking results of the essential Oil from Ai Ye with furin
 
NumberIDNAMEglide ligand efficiencyglide gscoreglide energy
1CHEBI:132824Spathulenol−0.312−4.995−29.469
2CHEBI:1673282-p-Menthen-1-ol−0.435−4.781−22.01
3CHEBI:176780Dihydroactinidiolide−0.365−4.739−21.911
4CHEBI:50040Thujone−0.429−4.715−18.481
5CHEBI:4609Dimethyl phthalate−0.322−4.514−27.789
6CHEBI:17854Cyclohexanone−0.636−4.454−18.001
7CHEBI:22469Alpha-terpineol−0.405−4.454−26.024
8CHEBI:173721Davanone−0.262−4.453−29.093
9CHEBI:279611,8-Cineole−0.39−4.29−19.998
10CHEBI:3573Chamazulene−0.301−4.209−22.475
11CHEBI:132905Alpha-cadinol−0.256−4.094−23.184
12CHEBI:28093Borneol−0.372−4.088−19.503
13CHEBI:132899Beta-terpineol−0.371−4.078−26.049
14CHEBI:29069Phthalic acid−0.336−6.432−30.927
15CHEBI:36773Camphor−0.366−4.03−18.778
16CHEBI:156228Viridiflorol−0.251−4.017−23.82
17CHEBI:15397(S)-Camphor−0.364−4.003−18.068
18CHEBI:49045Germacrene D−0.26−3.893−22.31
19CHEBI:10577Gamma-terpinene−0.368−3.684−18.022
20CHEBI:61699(−)-Alpha-gurjunene−0.246−3.683−25.021
21CHEBI:63709Bicyclogermacrene−0.24−3.595−24.5
22CHEBI:50025Beta-pinene−0.331−3.31−15.545
23CHEBI:17327Phytol−0.072−1.503−39.271
24CHEBI:145715Hex-3-en-1-ol−0.158−1.108−17.563
25CHEBI:185431Pentane-1,5-diol−0.143−1.001−23.626
26CHEBI:39242cis-Beta-farnesene0.050.743−25.779
27CHEBI:17302Pentadecanal0.1362.173−30.775

 

Table 3. Molecular docking results of the essential Oil from Jinyin Hua with Cathepsin L
 
NumberIDNAMEglide ligand efficiencyglide gscoreglide energy
1CHEBI:41237Benzyl benzoate−0.384−6.146−32.778
2CHEBI:28266Fluorene−0.454−5.901−24.18
3CHEBI:22469Alpha-terpineol−0.535−5.89−25.072
4CHEBI:28851Phenanthrene−0.416−5.83−24.734
5CHEBI:342472,6-Di-tert-butyl-4-methylphenol−0.342−5.472−23.883
6CHEBI:32319Alpha-ionone−0.35−4.906−23.664
7CHEBI:84851Ethyl linolenate−0.17−3.745−36.322
8CHEBI:32936Tetracosane−0.15−3.595−35.184
9CHEBI:17447Geraniol−0.325−3.575−23.114
10CHEBI:32941Heptacosane−0.114−3.082−39.933
11CHEBI:32938Pentacosane−0.106−2.659−34.403
12CHEBI:17580Linalool−0.236−2.598−21.637
13CHEBI:149547(2E,4E)-Deca-2,4-dienal−0.233−2.568−24.047
14CHEBI:46050Docosane−0.1−2.211−35.118
15CHEBI:34687Dibutyl phthalate−0.098−1.956−39.578
16CHEBI:67252Farnesyl acetone−0.097−1.85−32.469
17CHEBI:17351Linoleic acid−0.092−1.846−38.83
18CHEBI:177721Methyl 9-oxononanoate−0.073−0.946−29.415
19CHEBI:17327Phytol−0.033−0.683−32.077
20CHEBI:42504Pentadecanoic acid−0.039−0.664−33.772
21CHEBI:15756Hexadecanoic acid−0.024−0.442−36
22CHEBI:28842Octadecanoic acid−0.02−0.397−39.091
23CHEBI:30805Dodecanoic acid−0.028−0.396−29.905
24CHEBI:30813Decanoic acid−0.033−0.394−28.055
25CHEBI:69187Methyl palmitate−0.015−0.277−33.707
26CHEBI:69080Methyl linoleate−0.011−0.224−35.128
27CHEBI:28875Tetradecanoic acid0−0.004−30.723
28CHEBI:69188Methyl stearate0.0060.136−36.556
29CHEBI:84156Methyl palmitoleate0.0160.312−33.112
30CHEBI:84067Tetradecanal0.0640.956−29.986
31CHEBI:45296Hexadecane0.1111.774−28.734
32CHEBI:32927Nonadecane0.0991.884−30.142

 

Table 4. Molecular docking results of the essential Oil from Jinlian Hua with Mpro/3cl
 
NumberIDNAMEglide ligand efficiencyglide gscoreglide energy
1CHEBI:32325Beta-ionone−0.352−4.927−27.773
2CHEBI:67206Geranyl acetone−0.325−4.554−27.44
3CHEBI:424382-Methoxy-4-vinylphenol−0.402−4.422−23.155
4CHEBI:67252Farnesyl acetone−0.212−4.035−29.67
5CHEBI:17351Linoleic acid−0.192−3.843−32.227
6CHEBI:16196Oleic acid−0.187−3.741−35.214
7CHEBI:46050Docosane−0.166−3.663−31.617
8CHEBI:17580Linalool−0.329−3.614−22.597
9CHEBI:28716Palmitoleic acid−0.183−3.299−28.459
10CHEBI:79053Diisobutyl phthalate−0.164−3.287−31.689
11CHEBI:69080Methyl linoleate−0.156−3.276−32.755
12CHEBI:17327Phytol−0.147−3.087−26.609
13CHEBI:28842Octadecanoic acid−0.154−3.08−30.355
14CHEBI:27432Alpha-linolenic acid−0.144−2.893−31.987
15CHEBI:29019Nonanoic acid−0.248−2.735−21.532
16CHEBI:133634Methyl linolenate−0.13−2.725−35.695
17CHEBI:42504Pentadecanoic acid−0.144−2.444−27.718
18CHEBI:16148Heptadecane−0.144−2.441−29.375
19CHEBI:28897Pentadecane−0.157−2.355−26.189
20CHEBI:87494Methyl laurate−0.15−2.253−27.222
21CHEBI:41808Decane−0.221−2.212−17.68
22CHEBI:28875Tetradecanoic acid−0.134−2.15−25.702
23CHEBI:41253Tetradecane−0.132−1.854−27.426
24CHEBI:35998Tridecane−0.123−1.599−26.364

 

Table 5. Physicochemical characteristics of 9 volatile oils
 
TCMLatin nameRefractive indexpHDensity (g/mL)
1ShixiangruMoslae Herba1.47184.40.9012
2Maye QianliguangSenecionis Scandentis Hebra1.47164.40.9555
3Yuxing CaoHouttuyniae Herba1.34084.40.8756
4HongfengAcer Palmatum ‘Atropurpureum’,1.3394.40.9227
5Ai YeArtemisiae Argyi Folium1.33344.40.9946
6Jinlian HuaLonicerae Japonicae Flos1.33434.40.8768
7Hangbai JuWhite Chrsanthemum1.33384.10.96
8Ye JuhuaChrysanthemi Indici Flos1.33614.40.8346
9Jinyin HuaTrollius Chinensis Bunge1.46794.50.872