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DOI	10.3390/plants11020208
	Characterization of Possible a-Glucosidase Inhibitors from Trigonella stellata Extract Using LC-MS and In Silico Molecular Docking
	Elwekeel, Ahlam; El Amir, Dalia; Mohamed, Enas I. A.; Amin, Elham; Hassan, Marwa H. A.; Zaki, Mohamed A.
通讯作者	Hassan, MHA ; Zaki, MA (corresponding author)，Beni Suef Univ, Fac Pharm, Dept Pharmacognosy, Bani Suwayf 62514, Egypt.
来源期刊	PLANTS-BASEL
EISSN	2223-7747
出版年	2022
卷号	11 期号:2
英文摘要	The current study accentuates the significance of performing the multiplex approach of LC-HRESIMS, biological activity, and docking studies in drug discovery, taking into consideration a review of the literature. In this regard, the investigation of antioxidant and cytotoxic activities of Trigonella stellata collected from the Egyptian desert revealed a significant antioxidant capacity using DPPH with IC50 = 656.9 mu g/mL and a moderate cytotoxicity against HepG2, MCF7, and CACO2, with IC50 values of 53.3, 48.3, and 55.8 mu g/mL, respectively. The evaluation of total phenolic and flavonoid contents resulted in 32.8 mg GAE/g calculated as gallic acid equivalent and 5.6 mg RE/g calculated as rutin equivalent, respectively. Chemical profiling of T. stellata extract, using LC-HRESIMS analysis, revealed the presence of 15 metabolites, among which eleven compounds were detected for the first time in this species. Interestingly, in vitro testing of the antidiabetic activity of the alcoholic extract noted an alpha-glucosidase enzyme inhibitory activity (IC50 = 559.4 mu g/mL) better than that of the standard Acarbose (IC50 = 799.9 mu g/mL), in addition to a moderate inhibition of the alpha-amylase enzyme (IC50 = 0.77 mu g/mL) compared to Acarbose (IC50 = 0.21 mu g/mL). alpha-Glucosidase inhibition was also virtualized by binding interactions through the molecular docking study, presenting a high binding activity of six flavonoid glycosides, as well as the diterpenoid compound graecumoside A and the alkaloid fenugreekine. Taken together, the conglomeration of LC-HRESIMS, antidiabetic activity, and molecular docking studies shed light on T. stellata as a promising antidiabetic herb.
英文关键词	Trigonella stellata LC-HRESIMS molecular docking alpha-glucosidase inhibition graecumoside A fenugreekine
类型	Article
语种	英语
开放获取类型	gold, Green Published
收录类别	SCI-E
WOS记录号	WOS:000758738100001
WOS关键词	FOENUM-GRAECUM ; ANTIOXIDANT ACTIVITY ; FENUGREEK ; IDENTIFICATION ; FLAVONOIDS ; ASSAY
WOS类目	Plant Sciences
WOS研究方向	Plant Sciences
资源类型	期刊论文
条目标识符	http://119.78.100.177/qdio/handle/2XILL650/376685
作者单位	[Elwekeel, Ahlam; El Amir, Dalia; Mohamed, Enas I. A.; Amin, Elham; Hassan, Marwa H. A.; Zaki, Mohamed A.] Beni Suef Univ, Fac Pharm, Dept Pharmacognosy, Bani Suwayf 62514, Egypt; [Amin, Elham] Qassim Univ, Coll Pharm, Dept Med Chem & Pharmacognosy, Buraydah 51452, Saudi Arabia
推荐引用方式 GB/T 7714	Elwekeel, Ahlam,El Amir, Dalia,Mohamed, Enas I. A.,et al. Characterization of Possible a-Glucosidase Inhibitors from Trigonella stellata Extract Using LC-MS and In Silico Molecular Docking [J],2022,11(2).
APA	Elwekeel, Ahlam,El Amir, Dalia,Mohamed, Enas I. A.,Amin, Elham,Hassan, Marwa H. A.,&Zaki, Mohamed A..(2022). Characterization of Possible a-Glucosidase Inhibitors from Trigonella stellata Extract Using LC-MS and In Silico Molecular Docking .PLANTS-BASEL,11(2).
MLA	Elwekeel, Ahlam,et al." Characterization of Possible a-Glucosidase Inhibitors from Trigonella stellata Extract Using LC-MS and In Silico Molecular Docking ".PLANTS-BASEL 11.2(2022).