Phytochemical investigation and anti-inflammatory potential of Atriplex leucoclada Boiss

BMC Complementary Medicine and Therapies · 7 authors, 4 centres

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Researchers isolated nine phytochemicals from Atriplex leucoclada and analyzed non-polar compounds by GC-MS, then tested both extracts for COX-1 and COX-2 inhibition in vitro.

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Aerial parts were defatted with n-hexane and extracted with 80% methanol. The hexane extract (ATH) was analyzed by GC-MS, while the defatted extract (ATD) was subjected to chromatographic purification, yielding nine compounds (eight reported for the first time from this species). Anti-inflammatory activity was tested in vitro against COX-1 and COX-2 enzymes. ATD showed IC50 values of 41.22 and 14.40 μg/ml against COX-1 and COX-2, respectively, while ATH showed IC50 values of 16.74 and 5.96 μg/ml. Molecular docking of purified and GC-MS identified compounds into COX-1 and COX-2 active sites yielded binding scores ranging from -9 to -5.1 kcal/mol, generally exceeding ibuprofen. The findings suggest A. leucoclada as a potential source of selective COX-2 inhibitory agents.

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other

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preclinical research

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ORIGINAL PAPER

PMC10725009

Phytochemical investigation and anti-inflammatory potential of Atriplex leucoclada Boiss

BMC Complementary Medicine and Therapies

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ABSTRACT

Background The plant kingdom has long been considered a valuable source for therapeutic agents, however, some plant species still untapped and need to be phytochemically and biologically explored. Although several Atriplex species have been investigated in depth, A. leucoclada, a halophytic plant native to Saudi Arabian desert, remains to be explored for its phytochemical content and biological potentials. Herein, the current study investigated the metabolic content and the anti-inflammatory potential of A . leucoclada. Methods Powdered aerial parts of the plant were defatted with n-hexane then the defatted powder was extracted with 80% methanol. n-Hexane extract (ATH) was analyzed using GC–MS, while the defatted extract (ATD) was subjected to different chromatographic methods to isolate the major phytoconstituents. The structures of the purified compounds were elucidated using different spectroscopic methods including advanced NMR techniques. Anti-inflammatory activity of both extracts against COX-1 and COX-2 enzymes were examined in vitro. Molecular docking of the identified compounds into the active sites of COX-1 and COX-2 enzymes was conducted using pdb entries 6Y3C and 5IKV, respectively. Results Phytochemical investigation of ATD extract led to purification and identification of nine compounds. Interestingly, all the compounds, except for 20-hydroxy ecdysone (1), are reported for the first time from A. leucoclada , also luteolin (6) and pallidol (8) are isolated for the first time from genus Atriplex . Inhibitory activity of ATD and ATH extracts against COX-1 and COX-2 enzymes revealed concentration dependent activity of both fractions with IC 50 41.22, 14.40 μg/ml for ATD and 16.74 and 5.96 μg/ml for ATH against COX-1 and COX-2, respectively. Both extracts displayed selectivity indices of 2.86 and 2.80, respectively as compared to 2.56 for Ibuprofen indicating a promising selectivity towards COX-2. Molecular docking study supported in vitro testing results, where purified metabolites showed binding affinity scores ranged from -9 to -6.4 and -8.5 to -6.6 kcal/mol for COX-1 and 2, respectively, in addition the binding energies of GC–MS detected compounds ranged from -8.9 to -5.5 and -8.3 to -5.1 kcal/mol for COX-1 and 2, respectively as compared to Ibuprofen (-6.9 and -7.5 kcal/mol, respectively), indicating high binding affinities of most of the compounds. Analysis of the binding orientations revealed variable binding patterns depending on the nature of the compounds. Our study suggested A . leucoclada as a generous source for anti-inflammatory agents. Supplementary Information The online version contains supplementary material available at 10.1186/s12906-023-04281-5.

CITATION EXPORT

Hayam S. Ahmed, Enas I. A. Mohamed, Elham Amin et al.. Phytochemical investigation and anti-inflammatory potential of Atriplex leucoclada Boiss. BMC Complementary Medicine and Therapies. (2023). https://doi.org/10.1186/s12906-023-04281-5

AUTHORS

7 · 4 CENTRES

Hayam S. Ahmed, Enas I. A. Mohamed, Elham Amin, Abeer S. Moawad, Mohamed Sadek Abdel-Bakky, Suliman A. Almahmoud, Naglaa Afifi

1https://ror.org/05pn4yv70grid.411662.60000 0004 0412 4932Department of Pharmacognosy, Faculty of Pharmacy, Beni-Suef University, Beni-Suef, 62514 Egypt
2https://ror.org/01wsfe280grid.412602.30000 0000 9421 8094Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Qassim University, Buraydah, 51452 Saudi Arabia
3https://ror.org/01wsfe280grid.412602.30000 0000 9421 8094Department of Pharmacology and Toxicology, College of Pharmacy, Qassim University, Buraydah, 51452 Saudi Arabia
4https://ror.org/05fnp1145grid.411303.40000 0001 2155 6022Department of Pharmacology and Toxicology, Faculty of Pharmacy, Al-Azhar University, Cairo, 11751 Egypt