@article {2219, title = {Screening and Identification of Metabolites from Sambiloto (Andrographis paniculata) Ethanol Extract for Pro-Inflammatory Cytokines Inhibitory through In Silico and In Vitro Approaches}, journal = {Pharmacognosy Journal}, volume = {16}, year = {2024}, month = {February 2024}, pages = {131-140}, type = {Research Article}, chapter = {131}, abstract = {

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-1{\ss}, 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.

}, keywords = {LC-MS/MS, Molecular docking, Pro-inflammatory cytokines, Sambiloto}, doi = {10.5530/pj.2024.16.18}, author = {Evul Winoto Lukito and Dyah Iswantini and Budhi Antariksa and Mohamad Rafi and Setyanto Tri Wahyudi} }