Drug repurposing against COVID-19 by GWAS

This note is prepared by the authors of a recent publication on shared genetic architecture of drug response based on summary statistics from genome-wide association studies (GWAS) to propose a drug repurposing approach for the treatment of coronavirus COVID-19. The authors proposed that in silico studies may be preceded by analyzing shared genetic architecture of drug response based on existing GWAS.Copyright © 2020, Health Biotechnology and Biopharma.

Towards Screening and Repurposing of Approved Drugs for the Treatment of COVID-19 Using Molecular Docking

Molecular docking was applied to investigate interactions between 1638 approved drugs, SARS-CoV-2 virus proteins (spike, nonstructural proteins NSP3, NSP7, NSP8, NSP9, NSP10, NSP12, NSP15, NSP16, and NSP10-NSP16 complex), and the human angiotensinconverting enzyme 2 (ACE2) protein and its Spike@ACE2 complex. Structures of these approved drugs were fully optimized using the universal force field (UFF), and their lowest energy conformations were used for docking on the (co)crystallized structures of the target proteins taken from the protein data bank (PDB). The docking procedure was performed in two stages, and the results were evaluated based on four docking scores (ranking indices), which were used to measure the comparative affinities of the studied drugs towards the SARSCoV-2 virus proteins. Details of the positions, orientations, and interactions of the first three highest-ranked drugs in the binding pocket of the COVID-19 spike, NSP7, and human ACE2 proteins (as representatives) were visualized and analyzed. Based on the results of this molecular docking study, vazegepant, dasabuvir, vitamin E, fosamprenavir, raltegravir, canagliflozin, biliverdin, and imatinib drugs can be considered promising for further molecular mechanics/dynamics simulations and clinical studies to improve the screening process © 2023, Physical Chemistry Research. All Rights Reserved.

Drug repurposing against COVID-19 by GWAS

This note is prepared by the authors of a recent publication on shared genetic architecture of drug response based on summary statistics from genome-wide association studies (GWAS) to propose a drug repurposing approach for the treatment of coronavirus COVID-19. The authors proposed that in silico studies may be preceded by analyzing shared genetic architecture of drug response based on existing GWAS. © 2020, Health Biotechnology and Biopharma.

The proteins of sars-cov-2 and their functions

Coronavirus 2 (SARS-CoV-2) leads to Coronavirus disease 2019, is recognized as a lethal epidemic in 2020. SARS-CoV-2 is an enveloped, non-segmented, positive sense RNA virus that belongs to the beta-corona family of viruses. The genome of this virus is about 30 kb representing 16 non-structural proteins (Nsp1-16), four structural proteins (N, M, E, S) and nine accessory proteins are encoded by its genome, which are involved in survival and pathogenesis the viruses. In order to produce medicines and vaccines for SARS-CoV-2, it is essential to fully understand the genomic structure of the virus and function of its proteins. This review collects and investigates the functional properties of SARS-CoV-2 proteins that have been reported to date. © 2021, University of Defence, Faculty of Military Health Sciences. All rights reserved.

Therapeutic effect of thyme (Thymus vulgaris) essential oil on patients with covid19: A randomized clinical trial

Background & Objective: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a worldwide pandemic disease. There is currently no effective cure for this virus, but some types of herbs can be a good choice for reducing its symptoms. There are some reports that Thymus vulgaris has high antioxidant compounds effective in strengthening the immune system, as well as antiviral effects in reducing the respiratory symptoms. Therefore, we speculated that T. vulgaris could be useful for reducing some of the symptoms in patients suffering from coronavirus disease 2019 (COVID-19). Materials & Methods: First, thyme essential oil was prepared, and a questionnaire regarding the patients’ symptoms was designed. Then, 83 patients with COVID-19 were randomly selected and divided into control and thyme-receiving groups. The questionnaire was completed and emphasized to consume 5 mL of the syrup or essential oil three times per day. Finally, one week after the first visit, the questionnaire was completed again to determine the effects of thyme on the mentioned symptoms. Then, the test results were reviewed and reported. Results: The results one week after taking thyme showed that the fever (P<0.027), dizziness (P<0.003), cough, dyspnea, muscular pain, headache, anorexia, weakness and lethargy, fatigue, and chest wall pain were significantly reduced (P<0.001). Also, blood urea nitrogen (BUN) (P<0.004), neutrophil count (P<0.001), and calcium were (P<0.034) decreased, but lymphocyte count was increased significantly (P<0.001). Conclusion: Thyme plant, which has high antioxidant properties, strengthens the immune system, and by inducing the antiviral effect could reduce the symptoms of coronavirus;therefore, it is recommended for reducing the symptoms of COVID-19. © 2020, Zanjan University of Medical Sciences and Health Services. All rights reserved.