Loutfy Samah A, Abdel-Salam Ahmed I, Moatasim Yassmin, Gomaa Mokhtar R, Abdel Fattah Nasra F, Emam Merna H, Ali Fedaa, ElShehaby Hasnaa A, Ragab Eman A, Alam El-Din Hanaa M, Mostafa Ahmed, Ali Mohamed A, Kasry Amal
Virology and Immunology Unit, Cancer Biology Department, National Cancer Institute (NCI), Cairo University Fom El-Khalig 11796 Cairo Egypt
Nanotechnology Research Center (NTRC), The British University in Egypt El-Shorouk City, Suez Desert Road P. O. Box 43 Cairo 11837 Egypt
RSC Adv. 2022 May 25;12(25):15775-15786. doi: 10.1039/d2ra00905f. eCollection 2022 May 23.
To develop a specific treatment against COVID-19, we investigated silymarin-chitosan nanoparticles (Sil-CNPs) as an antiviral agent against SARS-CoV-2 using and approaches. Docking of Sil and CNPs was carried out against SARS-CoV-2 spike protein using AutoDock Vina. CNPs and Sil-CNPs were prepared by the ionic gelation method and characterized by TEM, FT-IR, zeta analysis, and the membrane diffusion method to determine the drug release profile. Cytotoxicity was tested on both Vero and Vero E6 cell lines using the MTT assay. Minimum binding energies with spike protein and ACE2 were -6.6, and -8.0 kcal mol for CNPs, and -8.9, and -9.7 kcal mol for Sil, respectively, compared to -6.6 and -8.4 kcal mol respectively for remdesivir (RMV). CNPs and Sil-CNPs were prepared at sizes of 29 nm and 82 nm. The CC50 was 135, 35, and 110 μg mL for CNPs, Sil, and Sil-CNPs, respectively, on Vero E6. The IC50 was determined at concentrations of 0.9, 12 and 0.8 μg mL in virucidal/replication assays for CNPs, Sil, and Sil-CNPs respectively using crystal violet. These results indicate antiviral activity of Sil-CNPs against SARS-CoV-2.
为开发针对COVID-19的特异性治疗方法，我们使用[具体方法1]和[具体方法2]研究了水飞蓟素-壳聚糖纳米颗粒（Sil-CNPs）作为抗SARS-CoV-2的抗病毒剂。使用AutoDock Vina对水飞蓟素（Sil）和壳聚糖纳米颗粒（CNPs）与SARS-CoV-2刺突蛋白进行对接。通过离子凝胶法制备CNPs和Sil-CNPs，并通过透射电子显微镜（TEM）、傅里叶变换红外光谱（FT-IR）、zeta分析和膜扩散法对其进行表征，以确定药物释放曲线。使用MTT法在Vero和Vero E6细胞系上测试细胞毒性。与瑞德西韦（RMV）分别为-6.6和-8.4 kcal/mol相比，CNPs与刺突蛋白和血管紧张素转换酶2（ACE2）的最小结合能分别为-6.6和-8.0 kcal/mol，Sil分别为-8.9和-9.7 kcal/mol。制备的CNPs和Sil-CNPs尺寸分别为29 nm和82 nm。在Vero E6细胞上，CNPs、Sil和Sil-CNPs的半数细胞毒性浓度（CC50）分别为135、35和110 μg/mL。在使用结晶紫的杀病毒/复制试验中，CNPs、Sil和Sil-CNPs的半数抑制浓度（IC50）分别测定为0.9、12和0.8 μg/mL。这些结果表明Sil-CNPs对SARS-CoV-2具有抗病毒活性。
