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基于 BcL-2 和 IspC 蛋白的金属-类黄酮配合物展示绿色合成银纳米粒子与类黄酮联合作为抗癌药物的计算研究

Computational metal-flavonoids complexes presentation of greenly synthesized silver nanoparticles combined flavonoids from as anticancer agents using BcL-2 and IspC proteins.

机构信息

Department of Biology, College of Sciences, King Khalid University, Abha, Saudi Arabia.

Fujairah Research Centre, Sakamkam Road, Fujairah, United Arab Emirates.

出版信息

Artif Cells Nanomed Biotechnol. 2024 Dec;52(1):529-550. doi: 10.1080/21691401.2024.2420414. Epub 2024 Oct 27.

Abstract

, has been widely recognized for its medical applications. LC-ESI-TOF-MS identified 22 secondary metabolites including phenolics, flavonoids, and anthocyanidin glycosides among its total extract (LCTE). The study aimed to apply LCTE as a biogenic material for reducing and capping the silver nanoparticles (LC-AgNPs). The ynthesized LC-AgNPs were characterized using different techniques. The UV absorption was observed at 379 nm. LC-AgNPs were spherical, with 19.22 nm average size. The face cubic centre nature was demonstrated by HR-TEM and XRD. The LC-AgNPs were then evaluated for their anticancer and antimicrobial potentials. LC-AgNPs showed an extremely potent cytotoxic activity against MCF-7, HCT-116 and HepG2 cell lines (IC= 0.37, 0.35 and 0.1 µg/mL, respectively). LC-AgNPs induced significant apoptotic effects in the three examined cancer cell lines. LC-AgNPs resulted in sequestration of cells in G1 phase of the cell cycle in both MCF-7 and HCT-116 cells, meanwhile it trapped cells at the G2 phase in HepG2 cells. Moreover, the antimicrobial activity of LC-AgNPs was highly confirmed against and . Molecular docking study designated Kaempferol-3-O-robinoside-7-O-rhamnoside and Quercetin-3-D-xyloside as the topmost LCTE active constituents that caused inhibition of both Bcl-2 and IspC cancer targets in combination with the produced silver nanoparticles.

摘要

, 在医学应用中已得到广泛认可。LC-ESI-TOF-MS 在其总提取物 (LCTE) 中鉴定出 22 种次生代谢产物,包括酚类、类黄酮和花色苷糖苷。本研究旨在将 LCTE 用作还原和封端银纳米粒子 (LC-AgNPs) 的生物材料。用不同的技术对合成的 LC-AgNPs 进行了表征。在 379nm 处观察到紫外吸收。LC-AgNPs 呈球形,平均粒径为 19.22nm。HR-TEM 和 XRD 表明其具有面心立方中心性质。然后对 LC-AgNPs 的抗癌和抗菌潜力进行了评估。LC-AgNPs 对 MCF-7、HCT-116 和 HepG2 细胞系表现出极强的细胞毒性活性 (IC=0.37、0.35 和 0.1µg/mL)。LC-AgNPs 在三种被检测的癌细胞系中均诱导显著的凋亡作用。LC-AgNPs 导致 MCF-7 和 HCT-116 细胞的细胞周期停滞在 G1 期,而在 HepG2 细胞中则将细胞困在 G2 期。此外,LC-AgNPs 的抗菌活性得到了高度证实,对 和 均有效。分子对接研究将山奈酚-3-O-芸香糖苷-7-O-鼠李糖苷和槲皮素-3-D-木糖苷指定为 LCTE 中最有效的活性成分,它们与产生的银纳米粒子一起抑制了 Bcl-2 和 IspC 癌症靶标。

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