Abstract
The COVID-19 pandemic continues to impose a huge threat on human health due to rapid viral mutations. Thus, it is imperative to develop more potent antivirals with both prophylactic and treatment functions. In this study, we screened for potential antiviral compounds from Sa rcandra glabra (SG) against Cathepsin L and HIV-1 proteases. A FRET assay was applied to investigate the inhibitory effects and UPLC-HRMS was employed to identify and quantify the bioactive components. Furthermore, molecular docking was carried out to get a glimpse of the binding of active compounds to the proteases. Our results showed that the SG extracts (SGW, SG30, SG60, and SG85) inhibited HIV-1 protease with an IC 50 of 0.003~0.07 mg/mL and Cathepsin L protease with an IC 50 of 0.11~0.26 mg/mL. Fourteen compounds were identified along with eight quantified from the SG extracts. Chlorogenic acid, which presented in high content in the extracts (12.7~15.76 µg/mg), possessed the most potent inhibitory activity against HIV-1 protease (IC 50 = 0.026 mg/mL) and Cathepsin L protease (inhibition: 40.8% at 0.01 mg/mL). Thus, SG extracts and the active ingredients could potentially be used to prevent/treat viral infections, including SARS-CoV-2, due to their dual-inhibition functions against viral proteases.
Keywords: Cathepsin L protease; HIV-1 protease; Sarcandra glabra; UPLC-HRMS; inhibition; molecular docking.
【저자키워드】 inhibition, molecular docking., UPLC-HRMS, Sarcandra glabra, HIV-1 protease, Cathepsin L protease, 【초록키워드】 Treatment, SARS-CoV-2, Antiviral, COVID-19 pandemic, molecular docking, protease, Prophylactic, viral infections, Health, HIV-1, ingredient, Proteases, Viral mutations, function, binding, cathepsin, components, Compound, inhibitory effect, functions, inhibitory activity, Antiviral compound, identify, develop, carried, inhibited, eight, applied, screened, imperative, quantified, Sarcandra, 【제목키워드】 HIV-1, cathepsin, Sarcandra,