Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: Identification, structure-Activity relationships, molecular modeling and impact on its folk medicinal uses

摘要: On Wednesday 11th March, 2020, the world health organization (WHO) announced novel coronavirus (COVID-19, also called SARS-CoV-2) as a pandemic. Due to time shortage and lack of either vaccine and/or an effective treatment, many trials focused on testing natural products find out potential lead candidates. In this field, edible folk medicinal Jordanian plant Crepis sancta (Asteraceae) was selected for study. Phytochemical investigation its enriched polyphenolic extract afforded four eudesmane sesquiterpenes (1–4) together with (6S,9R)-roseoside (5) five different methylated flavonols (6–10). Structure elucidation isolated compounds unambiguously determined based HRESIMS, X-ray crystallography, exhaustive 1D 2D NMR experiments. All were assessed their in vitro anti-inflammatory, antiallergic silico COVID-19 main protease (Mpro) inhibitory activities. Among tested compounds, 5–10 revealed potent Chrysosplenetin (10) is considered promising anti-inflammatory structure adding phytotherapeutic pipeline. Moreover, activity against SARS-CoV-2 Mpro, supported by docking molecular dynamic studies, strengthens paving way toward finding remedy treat control current