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超顺磁 γ-FeO NPs 的绿色合成、抗菌、抗生物膜和抗肿瘤活性及其与细胞壁甘露糖蛋白和肽聚糖的分子对接研究。

Green synthesis, antimicrobial, antibiofilm and antitumor activities of superparamagnetic γ-FeO NPs and their molecular docking study with cell wall mannoproteins and peptidoglycan.

机构信息

Department of Epidemic Disease Research, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia.

Department of Biophysics, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, Dammam, 31441 Dammam, Saudi Arabia.

出版信息

Int J Biol Macromol. 2021 Feb 28;171:44-58. doi: 10.1016/j.ijbiomac.2020.12.162. Epub 2020 Dec 26.

DOI:10.1016/j.ijbiomac.2020.12.162
PMID:33373634
Abstract

Fatty acids-assisted superparamagnetic maghemite (γ-FeO) NPs was biologically synthesized using extract of polyherbal drug Liv52 (L52E). The NPs were characterized by UV-vis spectroscopy, FT-IR, SEM, TEM, EDX, XRD and VSM. The major biological molecules present in L52E analysed by GC-MS were saturated fatty acids (palmitic acid 21.95%; stearic acid 13.99%; myristic acid 1.14%), monounsaturated fatty acid (oleic acid 18.43%), polyunsaturated fatty acid (linoleic acid 20.45%), and aromatic phenol (cardanol monoene 11.92%) that could imply in bio-fabrication and stabilization of γ-FeO NPs. The FT-IR spectra revealed involvement of carboxylic group of fatty acids, amide group of proteins and hydroxyl group of phenolic compounds that acts as reducing and capping agents. The synthesized NPs were used to investigate their antimicrobial, antibiofilm activity against P. aeruginosa, MRSA and C. albicans and anticancer activity on colon cancer cells (HCT-116) for biomedical applications. Further, molecular docking study was performed to explore the interaction of FeO NPs with major cell wall components i.e., peptidoglycan and mannoproteins. The docking studies revealed that FeO interacted efficiently with peptidoglycan and mannoproteins and FeO get accommodated into catalytic cleft of mannoprotein. Due to magnetic property, the biological activity of γ-FeO can be further enhanced by applying external magnetic field alone or in amalgamation with other therapeutics drugs.

摘要

脂肪酸辅助超顺磁性磁赤铁矿(γ-FeO)纳米粒子采用利福昔明(L52E)的草药提取物生物合成。通过 UV-vis 光谱、FT-IR、SEM、TEM、EDX、XRD 和 VSM 对纳米粒子进行了表征。GC-MS 分析 L52E 中存在的主要生物分子为饱和脂肪酸(棕榈酸 21.95%;硬脂酸 13.99%;肉豆蔻酸 1.14%)、单不饱和脂肪酸(油酸 18.43%)、多不饱和脂肪酸(亚油酸 20.45%)和芳香酚(卡丹醇单烯 11.92%),这可能暗示了 γ-FeO 纳米粒子的生物制造和稳定。FT-IR 光谱表明,脂肪酸的羧基、蛋白质的酰胺基和酚类化合物的羟基参与了还原和封端作用。所合成的纳米粒子用于研究其对铜绿假单胞菌、耐甲氧西林金黄色葡萄球菌和白色念珠菌的抗菌、抗生物膜活性以及对结肠癌细胞(HCT-116)的抗癌活性,用于生物医学应用。此外,还进行了分子对接研究,以探索 FeO NPs 与主要细胞壁成分即肽聚糖和甘露糖蛋白的相互作用。对接研究表明,FeO 与肽聚糖和甘露糖蛋白有效相互作用,FeO 进入甘露糖蛋白的催化裂缝中。由于磁性,γ-FeO 的生物活性可以通过单独施加外部磁场或与其他治疗药物联合应用来进一步增强。

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