Table 1.

Mechanism of action for the drugs that were identified based on structural data.

Drug name	Mechanism/s	Ref
Ursolic acid	Ursolic acid (UA) is a pentacyclic triterpenoid carboxylic acid that has been reported to possess antioxidant and anti-tumor properties. These properties of UA have been attributed to its ability to suppress NF-κB activation to regulate the expression of inflammatory genes.	[185], [186]
Saikosaponin A	Saikosaponin A up-regulates LXRα expression and has shown potent anti-inflammatory activity.	[187], [188], [189]
Mulberroside A	Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory and antiapoptotic effects.	[190]
Troxerutin	Troxerutin, also known as vitamin P4, can inhibit the production of reactive oxygen species (ROS) and repress ER stress-mediated NOD activation.	[191], [192], [193]
Verbascoside	Verbascoside acts as an ATP-competitive inhibitor of PKC and has antitumor and anti-inflammatory activity.	[194]
Corosolic acid	Corosolic acid is a protein kinase C inhibitor and exhibits anti‐angiogenic and anti‐lymphangiogenic effects.	[195], [196]
cynaroside	Antioxidant and anti-inflammatory activity.	[197], [198]
Orientin	Orientin has shown anti-inflammatory, anti-oxidative and anti-tumor activity.	[199]
ε-Viniferin	ε-Viniferin displays a potent inhibitory effect on the CYP activities with potent antioxidant ability.	[200], [201]
Myricitrin	Antioxidant activity.	[202], [203]
Baicalin	Baicalin reduces the expression of NF-κB. Baicalin treatment inhibits the increased expression of the proinflammatory factors including TLR2/4, MyD88, p-NF-κB, and p- IκB, as well as increase the expression of IκB protein, an NF-κB inhibitor	[204], [205]
Corynoline	Corynoline is a reversible and noncompetitive acetylcholinesterase (AChE). Corynoline exhibits anti-inflammatory activity by activating Nrf2.	[206], [207]
Protostemonine	Protostemonine is an active alkaloid and has anti-inflammatory effects on asthma and gram-negative bacteria-induced acute lung injury.	[207], [208]
Amygdalin	Amygdalin has antitumor activity. Amygdalin inhibits NF-kβ and NLRP3 signaling pathways, and consequently has anti-inflammatory effect by reducing the expression of proinflammatory cytokines such as pro-IL-1β.	[209]
Paeoniflorin	Anti-inflammatory activity.	[210]
Taiwanhomoflavone A	Anti-inflammatory properties have been reported. Also, a SARS-CoV-2 MPro inhibitor with strong binding ability to other targets of SARS-CoV-2, like RdRp and hACE-2.	[203], [211]
Lactucopicrin 15-oxalate	Lactucopicrin has reported to be antimalarial compounds. Also, a SARS-CoV-2 MPro inhibitor with strong binding ability to other targets of SARS-CoV-2, like RdRp and hACE-2.	[203], [212]
Nympholide A	A SARS-CoV-2 MPro inhibitor with strong binding ability to other targets of SARS-CoV-2, like RdRp and hACE-2.	[203], [213]
Saquinavir	Saquinavir has been reported to inhibit invasion and angiogenesis via reducing of MMP expression and activity. Also, saquinavir could increase in MDR1 mediated drug-efflux to exert anti-HIV activity.	[214], [215], [216]
Phyllaemblicin B	Antiviral effects of Phyllaemblicin B are due to suppression of virus induced apoptosis. A SARS-CoV-2 MPro inhibitor with strong binding ability to other targets of SARS-CoV-2, like RdRp and hACE-2.	[203], [217]
Cassameridin	Moderate antifungal activity.	[203]
Chrysanthemin	Antitumor effects via apoptosis induction, caspase signaling pathway and loss of mitochondrial membrane potential. Also, a SARS-CoV-2 MPro inhibitor with strong binding ability to other targets of SARS-CoV-2, like RdRp and hACE-2.	[203], [218]
Scalarane	Anti-inflammatory role.	[219]
Astragaloside A	Antioxidant, anti-apoptotic and antivirus effects.	[220]
Ilexgenin A	Anti-inflammation and anti-angiogenesis effects through inhibition of STAT3 and PI3K pathways and suppressing the inflammatory cytokines including TNF-α and IL-6 levels.	[221]
Rutin	Rutin has shown to have antioxidant, anti-inflammatory, anti-allergic, anti-angiogenic and antiviral properties.	[222], [223], [224]
Glycyrrhizin (Glycyrrhizic acid)	Glycyrrhizic acid acting as a direct HMGB1 antagonist, with anti-tumor, anti-diabetic activities.	[225], [226], [227]
Dipsacoside B	Anti-inflammatory effects	[228]
Puerarin	Puerarin has been shown to be a 5-HT2C receptor antagonist. Puerarin also inhibits the expression of LPS-induced iNOS, COX-2 and CRP proteins through suppression of p65NF-κB nuclear translocation	[229]
Morusin	Morusin acts as an antitumor, antioxidant, and anti-bacteria drug. Mechanistically, Morusin inhibits NF-κB and STAT3 activity. Morusin could also suppress breast cancer cell growth in vitro and in vivo through C/EBPβ and PPARγ mediated lipoapoptosis. In colorectal cancer, Morusin significantly inhibits the growth and clonogenicity of human colorectal cancer cells and suppressed the NF-κB activation. In addition, Morusin induced apoptosis in human prostate cancer cells by suppressing STAT3 activity.	[230], [231], [232]
Polyphyllin I	Polyphyllin I has been demonstrated to have strong anti-tumor activity in human non-small lung cancer cells. Polyphyllin I is an activator of the JNK signaling pathway and is an inhibitor of PDK1/Akt/mTOR signaling in human gastric carcinoma cells. Polyphyllin I induce autophagy, G2/M phase arrest and apoptosis in human glioma cells.	[233], [234], [235]