Inhibition of SARS-CoV-2 spike protein entry using biologically modified polyacrylonitrile nanofibers: in vitro study towards specific antiviral masks† † Electronic supplementary information (ESI) available. See https://doi.org/10.1039/d2ra01321e

With the increase of the contagiousness rates of Coronavirus disease (COVID-19), new strategies are needed to halt virus spread. Blocking virus entry by capturing its spike (S) protein is one of the effective approaches that could help in eliminating or reducing transmission rate of viruses. Herein, we aim to develop a nanofiber-based filter for protective face masks, composed of polyacrylonitrile (PAN) nanofibers (NFs)-loaded with Angiotensin Converting Enzyme-2 (ACE-2) for capturing the spike protein of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and blocking its entry. Docking simulations were performed to evaluate interactions of PAN with target proteins of both SARS-CoV-2 and Human Adenovirus type 5 (ADV-5) which was used as an in vitro model of human respiratory viruses. Scanning electron microscopy (SEM) and Fourier transformed infrared (FT-IR) spectroscopy was employed to investigate the surface morphology and to analyze the functional groups of the NFs, respectively. The mechanical properties of the electrospun NFs were investigated, according to which the tensile strengths of PAN and modified PAN NFs were 4.9 ± 1.2 GPa and 4.5 GPa. Additionally, elongations at break were 25 ± 2.5% to 24 ± 1.48% for PAN and modified PAN NFs. The tensile strength test showed good mechanical characteristics of the NFs. The ACE-2-loaded NFs were shown to be safe, with promising antiviral activity towards ADV-5. Meanwhile, a binding affinity study between the spike protein and ACE-2 was performed and the dissociation constant (KD) was found to be 1.1 nM. Accordingly, the developed antiviral filters have a potential role to stand as a base for combating various human respiratory viruses. With the increase in the contagiousness rates of Coronavirus disease (COVID-19), new strategies are needed to protect people and to halt the from the spread of viruses.

Antiviral activity of chitosan nanoparticles encapsulating silymarin (Sil–CNPs) against SARS-CoV-2 (in silico and in vitro study)† † Electronic supplementary information (ESI) available: Table S1;residues interacting with ligands (CNPs, Sil, and RMV) in the predicted binding pockets of Hexon, ACE2, and Spike protein. Fig. S1;a schematic diagram of the chemical interaction of Sil@CNPs nanocomposite. See https://doi.org/10.1039/d2ra00905f

To develop a specific treatment against COVID-19, we investigated silymarin–chitosan nanoparticles (Sil–CNPs) as an antiviral agent against SARS-CoV-2 using in silico and in vitro 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−1 for CNPs, and −8.9, and −9.7 kcal mol−1 for Sil, respectively, compared to −6.6 and −8.4 kcal mol−1 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−1 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−1 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. To develop a specific treatment against COVID-19, we investigated silymarin–chitosan nanoparticles (Sil–CNPs) as an antiviral agent against SARS-CoV-2 using in silico and in vitro approaches.

Inhibition of SARS-CoV-2 spike protein entry using biologically modified polyacrylonitrile nanofibers: in vitro study towards specific antiviral masks.

With the increase of the contagiousness rates of Coronavirus disease (COVID-19), new strategies are needed to halt virus spread. Blocking virus entry by capturing its spike (S) protein is one of the effective approaches that could help in eliminating or reducing transmission rate of viruses. Herein, we aim to develop a nanofiber-based filter for protective face masks, composed of polyacrylonitrile (PAN) nanofibers (NFs)-loaded with Angiotensin Converting Enzyme-2 (ACE-2) for capturing the spike protein of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and blocking its entry. Docking simulations were performed to evaluate interactions of PAN with target proteins of both SARS-CoV-2 and Human Adenovirus type 5 (ADV-5) which was used as an in vitro model of human respiratory viruses. Scanning electron microscopy (SEM) and Fourier transformed infrared (FT-IR) spectroscopy was employed to investigate the surface morphology and to analyze the functional groups of the NFs, respectively. The mechanical properties of the electrospun NFs were investigated, according to which the tensile strengths of PAN and modified PAN NFs were 4.9 ± 1.2 GPa and 4.5 GPa. Additionally, elongations at break were 25 ± 2.5% to 24 ± 1.48% for PAN and modified PAN NFs. The tensile strength test showed good mechanical characteristics of the NFs. The ACE-2-loaded NFs were shown to be safe, with promising antiviral activity towards ADV-5. Meanwhile, a binding affinity study between the spike protein and ACE-2 was performed and the dissociation constant (K D) was found to be 1.1 nM. Accordingly, the developed antiviral filters have a potential role to stand as a base for combating various human respiratory viruses.

Antiviral activity of chitosan nanoparticles encapsulating silymarin (Sil-CNPs) against SARS-CoV-2 (in silico and in vitro study).

To develop a specific treatment against COVID-19, we investigated silymarin-chitosan nanoparticles (Sil-CNPs) as an antiviral agent against SARS-CoV-2 using in silico and in vitro 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-1 for CNPs, and -8.9, and -9.7 kcal mol-1 for Sil, respectively, compared to -6.6 and -8.4 kcal mol-1 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-1 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-1 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.