toremifene and Pneumonia--Viral

toremifene has been researched along with Pneumonia--Viral* in 2 studies

Other Studies

2 other study(ies) available for toremifene and Pneumonia--Viral

Article	Year
Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs. Antimicrobial agents and chemotherapy, 2020, 06-23, Volume: 64, Issue:7 Drug repositioning is the only feasible option to immediately address the COVID-19 global challenge. We screened a panel of 48 FDA-approved drugs against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) which were preselected by an assay of SARS-CoV. We identified 24 potential antiviral drug candidates against SARS-CoV-2 infection. Some drug candidates showed very low 50% inhibitory concentrations (IC Topics: Animals; Anti-Inflammatory Agents; Antiviral Agents; Betacoronavirus; Cell Line; Chlorocebus aethiops; Coronavirus Infections; COVID-19; Drug Evaluation, Preclinical; Drug Repositioning; Humans; Niclosamide; Pandemics; Pneumonia, Viral; Pregnenediones; SARS-CoV-2; Vero Cells	2020
Repurposing of FDA-Approved Toremifene to Treat COVID-19 by Blocking the Spike Glycoprotein and NSP14 of SARS-CoV-2. Journal of proteome research, 2020, 11-06, Volume: 19, Issue:11 The global pandemic of Coronavirus Disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has led to the death of more than 675,000 worldwide and over 150,000 in the United States alone. However, there are currently no approved effective pharmacotherapies for COVID-19. Here, we combine homology modeling, molecular docking, molecular dynamics simulation, and binding affinity calculations to determine potential targets for toremifene, a selective estrogen receptor modulator which we have previously identified as a SARS-CoV-2 inhibitor. Our results indicate the possibility of inhibition of the spike glycoprotein by toremifene, responsible for aiding in fusion of the viral membrane with the cell membrane, via a perturbation to the fusion core. An interaction between the dimethylamine end of toremifene and residues Q954 and N955 in heptad repeat 1 (HR1) perturbs the structure, causing a shift from what is normally a long, helical region to short helices connected by unstructured regions. Additionally, we found a strong interaction between toremifene and the methyltransferase nonstructural protein (NSP) 14, which could be inhibitory to viral replication via its active site. These results suggest potential structural mechanisms for toremifene by blocking the spike protein and NSP14 of SARS-CoV-2, offering a drug candidate for COVID-19. Topics: Antiviral Agents; Betacoronavirus; Coronavirus Infections; COVID-19; Drug Repositioning; Exoribonucleases; Humans; Molecular Docking Simulation; Pandemics; Pneumonia, Viral; SARS-CoV-2; Spike Glycoprotein, Coronavirus; Toremifene; Viral Nonstructural Proteins	2020

Article

Year

Identification of Antiviral Drug Candidates against SARS-CoV-2 from FDA-Approved Drugs.

Antimicrobial agents and chemotherapy, 2020, 06-23, Volume: 64, Issue:7

Drug repositioning is the only feasible option to immediately address the COVID-19 global challenge. We screened a panel of 48 FDA-approved drugs against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) which were preselected by an assay of SARS-CoV. We identified 24 potential antiviral drug candidates against SARS-CoV-2 infection. Some drug candidates showed very low 50% inhibitory concentrations (IC

Topics: Animals; Anti-Inflammatory Agents; Antiviral Agents; Betacoronavirus; Cell Line; Chlorocebus aethiops; Coronavirus Infections; COVID-19; Drug Evaluation, Preclinical; Drug Repositioning; Humans; Niclosamide; Pandemics; Pneumonia, Viral; Pregnenediones; SARS-CoV-2; Vero Cells

2020

Repurposing of FDA-Approved Toremifene to Treat COVID-19 by Blocking the Spike Glycoprotein and NSP14 of SARS-CoV-2.

Journal of proteome research, 2020, 11-06, Volume: 19, Issue:11

The global pandemic of Coronavirus Disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has led to the death of more than 675,000 worldwide and over 150,000 in the United States alone. However, there are currently no approved effective pharmacotherapies for COVID-19. Here, we combine homology modeling, molecular docking, molecular dynamics simulation, and binding affinity calculations to determine potential targets for toremifene, a selective estrogen receptor modulator which we have previously identified as a SARS-CoV-2 inhibitor. Our results indicate the possibility of inhibition of the spike glycoprotein by toremifene, responsible for aiding in fusion of the viral membrane with the cell membrane, via a perturbation to the fusion core. An interaction between the dimethylamine end of toremifene and residues Q954 and N955 in heptad repeat 1 (HR1) perturbs the structure, causing a shift from what is normally a long, helical region to short helices connected by unstructured regions. Additionally, we found a strong interaction between toremifene and the methyltransferase nonstructural protein (NSP) 14, which could be inhibitory to viral replication via its active site. These results suggest potential structural mechanisms for toremifene by blocking the spike protein and NSP14 of SARS-CoV-2, offering a drug candidate for COVID-19.

Topics: Antiviral Agents; Betacoronavirus; Coronavirus Infections; COVID-19; Drug Repositioning; Exoribonucleases; Humans; Molecular Docking Simulation; Pandemics; Pneumonia, Viral; SARS-CoV-2; Spike Glycoprotein, Coronavirus; Toremifene; Viral Nonstructural Proteins

2020