02447nas a2200229 4500008004100000245018900041210006900230260001800299300001200317490000700329520165400336653001301990653002202003653003102025653001402056100002502070700002002095700002102115700001802136700002702154856003602181 2024 eng d00aScreening and Identification of Metabolites from Sambiloto (Andrographis paniculata) Ethanol Extract for Pro-Inflammatory Cytokines Inhibitory through In Silico and In Vitro Approaches0 aScreening and Identification of Metabolites from Sambiloto Andro cFebruary 2024 a131-1400 v163 a

Objective: Andrographis paniculata has long been a traditional medicinal plant in Indonesia. This study is intended to evaluate the anti-pro-inflammatory cytokines of 98% ethanol extract of A. paniculata by in vitro and in silico approaches. Inhibition of pro-inflammatory cytokines is also one of the therapies in treating COVID-19. Methods: The molecular docking approach was utilized as a first screening to evaluate the potential for suppression of macrophage cell activation; an ADMET prediction test was performed to determine the pharmacological, pharmacokinetic, and toxicity as a therapeutic target. TNF-α, IL-1ß, and IL-6 levels were measured using an ELISA method to investigate anti-cytokine pro-inflammatory activity in LPS-induced RAW 264.7 macrophage cells. LC-MS/MS was used to identify additional metabolite compounds. Results: Ethanol extract containing particular metabolites 14-Deoxyandrographoside and 14-Deoxy-17-hydroxyandrographolide inhibited TNF-α and IL-1β by 100% and IL-6 by 85.59%, respectively. While compared to the Dexamethasone molecule as a positive control, preliminary screening and ADMET prediction for the metabolite compound 14-Deoxyandrographoside exhibited relatively high binding stability to the CD14 receptor by -7.5 kcal/mol and was safe against various ADMET indications. Conclusions: This study reveals that the compound 14-Deoxyandrographoside in pure ethanol extract is a potential anticytokine agent candidate for treating pro-inflammatory cytokines, including COVID-19 infection.

10aLC-MS/MS10aMolecular docking10aPro-inflammatory cytokines10aSambiloto1 aLukito, Evul, Winoto1 aIswantini, Dyah1 aAntariksa, Budhi1 aRafi, Mohamad1 aWahyudi, Setyanto, Tri uhttps://phcogj.com/article/2219