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Metabolite Profiling and Skin Anti-Aging Potential of Astragalus sarcocolla:Antioxidant,Enzyme Inhibitory,and Computational Insights
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作者 Shaimaa R.Ahmed Omnia M.Hendawy +2 位作者 sumera qasim Hanan Khojah Ambreen Malik Uttra 《Phyton-International Journal of Experimental Botany》 2026年第2期119-138,共20页
The study evaluated the skin anti-aging activity of Astragalus sarcocolla leaves extract(ASE)by assessing its antioxidant and inhibitory effect activity on matrix metalloproteinase(MMP),collagenase,elastase,hyaluronid... The study evaluated the skin anti-aging activity of Astragalus sarcocolla leaves extract(ASE)by assessing its antioxidant and inhibitory effect activity on matrix metalloproteinase(MMP),collagenase,elastase,hyaluronidase,and tyrosinase in relation to its chemical composition.Ultra Performance Liquid Chromatography-Mass Spectrometry(UPLC-MS)identified 27 metabolites(15 flavonoids,8 phenolic acids and their derivatives,and 4 coumarins).ASE showed strong antioxidant capacity in DPPH(IC_(50)value of 26.05μg/mL)and FRAP(2433μM FeSO_(4)/g extract)assays.The extract inhibited MMP-1 and MMP-9 in a concentration-dependent manner and suppressed collagenase,elastase,hyaluronidase,and tyrosinase activities(IC_(50)=35.038,40.748,61.389,and 30.980μg/mL,respectively).A network pharmacology study was conducted to uncover the mechanisms responsible for skin anti-aging effects,and molecular docking further evaluated interactions of key metabolites with hub targets.Twenty-one bioactive metabolites,selected based on oral bioavailability and drug-likeness,highlighted cinnamic acid,acacetin,luteolin,kaempferol,and apigenin as key compounds.MMP-9,ESR1,PTGS-2,and EGFR were identified as main targets.Docking studies revealed that acacetin and apigenin have stronger binding affinities to MMP-9,PTGS-2,and EGFR than other constituents.These findings suggest that ASE may serve as a natural multi-target skin anti-aging remedy with potential cosmetic applications. 展开更多
关键词 Astragalus sarcocolla metabolite profiling aging METALLOPROTEINASE network pharmacology
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Potential Inhibitory Effect of Vitamins Against COVID-19
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作者 Kashaf Junaid sumera qasim +5 位作者 Humaira Yasmeen Hasan Ejaz Abdullah Alsrhani Muhammad Ikram Ullah Fahad Ahmad Abdul Rehman 《Computers, Materials & Continua》 SCIE EI 2021年第1期707-714,共8页
Coronavirus disease 2019(COVID-19)is a current pandemic that has affected more than 195 countries worldwide.In this severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)pandemic,when treatment strategies are not... Coronavirus disease 2019(COVID-19)is a current pandemic that has affected more than 195 countries worldwide.In this severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)pandemic,when treatment strategies are not yet clear and vaccines are not available,vitamins are an excellent choice to protect against this viral infection.The rationale behind this study was to examine the inhibitory effect of vitamins B,C,and D against the main protease of SARSCoV-2 and angiotensin-converting enzyme 2(ACE2),which have critical rolesin the immune system.Molecular docking,performed by using MOE-Dock of the Chemical Computing Group,was used to understand the mechanism.The vitamins all docked within the active sites of the Mpro(PDB ID:6LU7)and ACE2 receptor proteins(PDB ID:6VW1).Vitamins B and C delivered maximum energy scores against both targets,while vitamin D displayed a binding energy score of−7.9532 kcal/mol for M^(pro) and−7.9297 for ACE2.The efficiency of all three vitamins is higher than the binding energy score of chloroquine(−6.889 kcal/mol),which is now under clinical trials.The use of vitamins is beneficial,being immune system restorative,and they also act as anti-COVID agents.Although the potential beneficial effects of vitamin B and C are revealed through docking studies,further clinical trials are required for the validation of these results. 展开更多
关键词 SARS-CoV-2 VITAMINS DOCKING ANTIVIRALS chemical computing
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