| Title : Combinative effects of akarkara root-derived metabolites on anti-inflammatory and anti-alzheimer key enzymes: integrating bioassay-guided fractionation, GC-MS analysis, and in silico studies - Ibrahim_2023_BMC.Complement.Med.Ther_23_413 |
| Author(s) : Ibrahim RM , Abdel-Baki PM , Elmasry GF , El-Rashedy AA , Mahdy NE |
| Ref : BMC Complement Med Ther , 23 :413 , 2023 |
| Abstract : BACKGROUND: Anacyclus pyrethrum L. (Akarkara root), a valuable Ayurvedic remedy, is reported to exhibit various pharmacological activities. Akarkara root was subjected to bioassay-guided fractionation, to isolate its active constituents and discover their potential bioactivities, followed by computational analysis. METHODS: The methanol extract and its fractions, methylene chloride, and butanol, were assessed for their antioxidant, anti-inflammatory, and anticholinergic potentials. The antioxidant activity was determined using DPPH, ABTS, FRAP, and ORAC assays. The in vitro anticholinergic effect was evaluated via acetyl- and butyryl-cholinesterase inhibition, while anti-inflammatory effect weas determined using COX-2 and 5-LOX inhibitory assays. The methylene chloride fraction was subjected to GC/MS analysis and chromatographic fractionation to isolate its major compounds. The inhibitory effect on iNOS and various inflammatory mediators in LPS-activated RAW 264.7 macrophages was investigated. In silico computational analyses (molecular docking, ADME, BBB permeability prediction, and molecular dynamics) were performed. RESULTS: Forty-one compounds were identified and quantified and the major compounds, namely, oleamide (A1), stigmasterol (A2), 2E,4E-deca-2,4-dienoic acid 2-phenylethyl amide (A3), and pellitorine (A4) were isolated from the methylene chloride fraction, the most active in all assays. All compounds showed significant in vitro antioxidant, anticholinergic and anti-inflammatory effects. They inhibited the secretion of pro-inflammatory cytokines (TNF-alpha, IL-1beta, and IL-6) in activated RAW macrophages. The isolated compounds showed good fitting in the active sites of acetylcholinesterase and COX-2 with high docking scores. The ADME study revealed proper pharmacokinetics and drug likeness properties for the isolated compounds. The isolated compounds demonstrated high ability to cross the BBB and penetrate the CNS with values ranging from 1.596 to -1.651 in comparison with Donepezil (-1.464). Molecular dynamics simulation revealed stable conformations and binding patterns of the isolated compounds with the active sites of COX-2 and acetyl cholinesterase. CONCLUSIONS: Ultimately, our results specify Akarkara compounds as promising candidates for the treatment of inflammatory and neurodegenerative diseases. |
| ESTHER : Ibrahim_2023_BMC.Complement.Med.Ther_23_413 |
| PubMedSearch : Ibrahim_2023_BMC.Complement.Med.Ther_23_413 |
| PubMedID: 37978514 |
| Title : Ferocactus herrerae Fruits: Nutritional Significance, Phytochemical Profiling, and Biological Potentials - Abdel-Baki_2022_Plant.Foods.Hum.Nutr__ |
| Author(s) : Abdel-Baki PM , Ibrahim RM , Mahdy NE |
| Ref : Plant Foods Hum Nutr , : , 2022 |
| Abstract : The current study reports for the first time the nutritional, fruit volatiles, phytochemical, and biological characteristics of Ferocactus herrerae J. G. Ortega fruits. The nutritional analysis revealed that carbohydrate (20.6%) was the most abundant nutrient followed by dietary fibers (11.8%), lipids (0.9%), and proteins (0.8%). It was rich in vitamins, minerals, essential, and non-essential amino acids. Gas chromatography-mass spectrometry (GC-MS) analysis of the headspace-extracted volatiles showed that 3-methyl octadecane (35.72 +/- 2.38%) was the major constituent detected. Spectrophotometric determination of total phenolic and flavonoid contents of the fruit methanolic extract (ME) showed high total phenolic [9.17 +/- 0.87 mg/g gallic acid equivalent (GAE)] and flavonoid [4.99 +/- 0.23 mg/g quercetin equivalent (QE)] contents. The ME was analyzed using high-performance liquid chromatography with ultraviolet (HPLC-UV), which allowed for both qualitative and quantitative estimation of 16 phenolic compounds. Caffeic acid was the major phenolic acid identified [45.03 +/- 0.45 mg/100 g dried powdered fruits (DW)] while quercitrin (52.65 +/- 0.31 mg/100 g DW), was the major flavonoid detected. In-vitro assessment of the antioxidant capacities of the ME revealed pronounced activity using three comparative methods; 2, 2-diphenyl-1-picrylhydrazyl (DPPH) (132.06 +/- 2.1 microM Trolox equivalent (TE) /g), 2,2'-azino-di(3-ethylbenzthiazoline-6-sulfonic acid (ABTS), (241.1 +/- 5.03 uM TE/g), and ferric reducing antioxidant power (FRAP) (258.9 +/- 1.75 uM TE/g). Besides, remarkable anti-inflammatory [COX-1 (IC(50) = 20.2 +/- 1.1 microg/mL) and COX-2 (IC(50) = 9.8 +/- 0.64 microg/mL)] and acetylcholinesterase inhibitory (IC(50) = 1.01 +/- 0.39 mg/mL) activities were observed. Finally, our results revealed that these fruits could be used effectively as functional foods and nutraceuticals suggesting an increase in their propagation. |
| ESTHER : Abdel-Baki_2022_Plant.Foods.Hum.Nutr__ |
| PubMedSearch : Abdel-Baki_2022_Plant.Foods.Hum.Nutr__ |
| PubMedID: 36040657 |