@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} } @article {2073, title = {Phytochemical Compounds Identification From 70\% Ethanol Extract of Arcangelesia Flava (L.) Merr Stems Using LC-MS/MS and In-Silico Molecular Docking Approach as Inhibitor Interleukin-1β}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {528-534}, type = {Research Article}, chapter = {528}, abstract = {

Arcangelisia flava (L.) Merr has been traditionally used to treat jaundice, liver disease, diarrhea, fever, and inflammation. Judging from its potential, scientific evidence of this plant extract as an inhibitor of interleukin-1β is still lacking. This study aims to investigate the phytochemical compounds present in the 70\% ethanol extract of Arcangelesia flava stems by LC-MS/MS and to elucidate the ligand-protein interactions through in-silico studies. The extract was found to contain alkaloids, flavonoids, furanoditerpene, hydroxyquinoline, phenylpropanoid, phenol, and fatty acids. According to molecular docking of the 15 compounds analyzed by LC-MS/MS, the compounds 3-hydroxy-3{\textquoteright},4{\textquoteright},5{\textquoteright}-trimethoxyflavone (ΔG=-7.72 kcal/mol), fisisaine (ΔG=-6,91 kcal/mol), and demethyleneberberine (ΔG=-6.85 kcal/mol), which demonstrated the highest affinity for binding to the protein target. In addition, active amino acids contribute to this interaction by creating strong hydrogen bonds, such as MET148, LYS 103, and THR300. Phytochemical compounds from Arcangelesia flava may serve as adjunctive therapy or a promising source of advanced structures in drug discovery for treatments targeting interleukin-1β

}, keywords = {Arcangelisia flava (L.) Merr, Inhibitor interleukin-1β, LC-MS/MS, Molecular Docking.}, doi = {10.5530/pj.2023.15.114}, author = {Rizki Rahmadi Pratama and Irawati Sholikhah and Sukardiman and Ram Kumar Sahu and Retno Widyowati} } @article {888, title = {Chemical Composition and Antioxidant Effect of Mentha rotundifolia Extracts}, journal = {Pharmacognosy Journal}, volume = {11}, year = {2019}, month = {May 2019}, pages = {521-526}, type = {Original Article}, chapter = {521}, abstract = {

Aim: This report was aimed to investigate both the chemical composition and the antioxidant activity of two extracts from Mentha rotundifolia aerial parts. Methods: Aqueous and acetonic extracts were obtained by decoction and Soxhlet apparatus, respectively. Total polyphenols contents were determined using Folin- Ciocalteu reagent whereas flavonoids were evaluated by AlCl3 method. LC-MS/MS method was carried out to reveal the phytochemical composition of extracts. Some tests were used to evaluate the in vitro antioxidant activity of extracts such as DPPH free radical scavenging assay, ABTS+ radical cation decolorization assay, OH{\textbullet} radical scavenging assay, ferrous ion chelating, reducing power and β-caroten/linoleic acid bleaching assay. Results: The results showed that the aqueous extract was richer on polyphenols and flavonoids comparing to the acetonic extract. The analysis by LC-MS/MS allowed to identify many phenolic compounds in extracts, predominated by rosmarinic acid. In addition, the extracts were found to possess a significant antioxidant activity. Conclusion: Accordingly, it can be concluded that M. rotundifolia is quite rich in phenolic compounds and has a good antioxidant activity.

}, keywords = {antioxidant activity, Extraction, LC-MS/MS, Mentha rotundifolia, Phenolic compounds}, doi = {10.5530/pj.2019.11.83}, author = {Ferdjioui Siham and Belhattab Rachid and Raed M Al-Zoubi} } @article {962, title = {A New LC/MS/MS Method for the Analysis of Phyllanthin in Rat Plasma and its Application on Comparative Bioavailability of Phyllanthin in Different Formulations after Oral Administration in Rats}, journal = {Pharmacognosy Journal}, volume = {11}, year = {2019}, month = {September 2019}, pages = {968-975}, type = {Original Article}, chapter = {968}, abstract = {

Introduction: A simple, short UPLC/MS/MS method for quantitation of phyllanthin in rat plasma in less than 2 minutes have been developed and fully validated. The validated method was used to investigate the pharmacokinetic properties of phyllanthin in PA extract and phospholipid complex of PA extract in rat. Methods: The separation was carried out on Acquity C18 (50 x 2.1 mm; 1.7 μm), with a mobile phase of 10 mM aqueous amonium acetate and acetonitrile (10:90; v/v), at a flow rate of 0.2 mL/min. Felodipin was used as internal standard. Phyllanthin is extracted from a small volume of rat plasma (100 μl) by means of liquid-liquid extraction method with tert butyl methyl ether. Electrospray ionization (ESI) mass spectrometry was applied in positive mode at capillary voltage of 4000 V for both phyllanthin and IS, cone voltage of 24 V for phyllanthin and 20 V for IS, desolvation temperature of 360oC, cone gas flow of 25 L/h, collision energy of 12 V for phyllanthin and 10 V for IS. Multiple reaction monitoring (MRM) was used to monitor the transitions at m/z (Q1/Q3) 436.41/355.36 for phyllanthin and 384.20/352.18 for IS. Results: The linear calibration curve of phyllanthin was obtained over the concentration range of 0.5 {\textendash} 100 ng/mL. The intra- and inter-day precisions were less than 7.08 \% and the accuracies were within {\textpm} 7.55\%. The Cmax values of phyllanthin from two different preparations in rat plasma after oral administration of 2.0 mg/kg were 11.44 and 31.44 ng/ml, and the AUC values were 18.07 and 41.43 h.ng/ml, respectively. Conclusion: A simple, short UPLC/MS/MS method for quantitation of phyllanthin in rat plasma in less than 2 minutes have been developed and fully validated. The bioavailability of phyllanthin from the phospholipid complex of PA extract in rat plasma was significantly improved compared with that of raw PA extract after oral administration.

}, keywords = {LC-MS/MS, Pharmacokinetics, Phospholipid, Phyllanthin, Plasma, Quantitation}, doi = {10.5530/pj.2019.11.153}, author = {Nguyen Van Long and Chu Van Men and Anh Vu Tuan and Nguyen Van Manh and Thanh Chu Duc and Ha Bui Thi Thu and Hoang Van Luong and Le Bach Quang and Pham Gia Khanh} }