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Repurposing Fagonia Indica Alkaloids as Allosteric PTP 1B Inhibitors: Computational Profiling and Biochemical Validation.

作者信息

Kamel Emadeldin M, Ahmed Noha A, Abalkhail Adil, Bin-Jumah May, Abuamarah Bassam A, Alkhayl Faris F Aba, Lamsabhi Al Mokhtar

机构信息

Chemistry Department, Faculty of Science, Beni-Suef University, Beni-Suef, 62514, Egypt.

Physiology Division, Zoology Department, Faculty of Science, Beni-Suef University, P.O. Box 62521, Beni-Suef, Egypt.

出版信息

Cell Biochem Biophys. 2025 Aug 22. doi: 10.1007/s12013-025-01870-8.

DOI:10.1007/s12013-025-01870-8
PMID:40844701
Abstract
摘要

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ACS Omega. 2024 Nov 13;9(47):47167-47179. doi: 10.1021/acsomega.4c07624. eCollection 2024 Nov 26.
2
Dynamic interactions and inhibitory mechanisms of Artemisia annua terpenoids with carbonic anhydrase IX.青蒿萜类化合物与碳酸酐酶IX的动态相互作用及抑制机制
Int J Biol Macromol. 2024 Dec;282(Pt 3):136982. doi: 10.1016/j.ijbiomac.2024.136982. Epub 2024 Oct 28.
3
Unraveling the mechanism of carbonic anhydrase IX inhibition by alkaloids from Ruta chalepensis: A synergistic analysis of in vitro and in silico data.
解析滨蒿生物碱抑制碳酸酐酶 IX 的作用机制:体外与计算综合分析。
Biochem Biophys Res Commun. 2024 Nov 12;733:150685. doi: 10.1016/j.bbrc.2024.150685. Epub 2024 Sep 11.
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Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.对异双功能降解剂诱导的PTPN2/N1复合物的机制性见解。
Commun Chem. 2024 Aug 16;7(1):183. doi: 10.1038/s42004-024-01263-7.
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Bridging in silico and in vitro perspectives to unravel molecular mechanisms underlying the inhibition of β-glucuronidase by coumarins from Hibiscus trionum.从计算机模拟和体外实验两方面解析朝藿定 C 抑制β-葡萄糖醛酸苷酶的分子机制。
Biophys Chem. 2024 Oct;313:107304. doi: 10.1016/j.bpc.2024.107304. Epub 2024 Jul 26.
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Deciphering molecular mechanisms underlying the inhibition of β-glucuronidase by xanthones from Centaurium spicatum.解析 Centaurium spicatum 中的酮类物质抑制β-葡萄糖醛酸酶的分子机制。
Bioorg Chem. 2024 Sep;150:107609. doi: 10.1016/j.bioorg.2024.107609. Epub 2024 Jul 2.
7
Protein tyrosine phosphatase 1B (PTP1B) function, structure, and inhibition strategies to develop antidiabetic drugs.蛋白酪氨酸磷酸酶 1B(PTP1B)的功能、结构和抑制策略,以开发抗糖尿病药物。
FEBS Lett. 2024 Aug;598(15):1811-1838. doi: 10.1002/1873-3468.14901. Epub 2024 May 9.
8
Unveiling the tyrosinase inhibitory potential of phenolics from Centaurium spicatum: Bridging in silico and in vitro perspectives.揭示 Centaurium spicatum 中酚类化合物对酪氨酸酶的抑制潜力:连接计算机模拟和体外研究的视角。
Bioorg Chem. 2024 Jun;147:107397. doi: 10.1016/j.bioorg.2024.107397. Epub 2024 Apr 25.
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