Single-center clinical study and in-Silico investigation
of Thymus capitatus extract as supportive treatment of
patients with COVID-19
Volume 2 - Issue 4
Inass A Sadawe1, Abdulhakim M Qabaj2, Nisreen H Meiqal1, Salah M Bensaber1, Abdulhamid R Hamid3,
Massaud Salem Maamar4, Anton Hermann5 and Abdul M Gbaj1*
- 1Department of Medicinal Chemistry, Faculty of Pharmacy, University of Tripoli, Libya
- 2Arada polylinic, Arada, Tripoli, Libya
- 3Judicial Expertise and Research Centre, Tripoli, Libya
- 4Zoology Department, Faculty of Science, Tripoli University, Libya
- 5Department of Biosciences, University of Salzburg, Salzburg, Austria
Received: December 21, 2020 Published: January 11, 2021
Corresponding author: Abdul M Gbaj, Professor of Genetics and Biochemistry, Department of Medicinal Chemistry, Faculty of
Pharmacy, University of Tripoli, Libya
DOI: 10.32474/JCCM.2021.02.000147
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Abstract
Thymus capitatus extract has been considered a promise as antiviral agent against COVID‑19 viruses. We hypothesized that Thymus capitatus components may interact with key protein targets of COVID‑19 (coronavirus 2 (SARS-CoV-2) causing severe acute respiratory syndromes. Molecular docking analysis was carried out using 31 components of Thymus capitatus with SARS-CoV-2 protease enzyme (6LU7) and spike glycoprotein (6VSB). The compounds with the best normalized docking scores to protease enzyme were allo-Aromadendrene (-6.3 kcal/mole), spathulenol (-6.6 kcal/mole) and ledene (-6.8 kcal/mole). The best docking ligands for spike glycoprotein were allo-Aromadendrene (-6.6 kcal/mole), spathulenol (-6.6 kcal/mole) and ledene (-7.3 kcal/mole). All Thymus capitatus components may act synergistically to produce the therapeutic action. Thymus capitatus components may potentiate the effect of prednisolone, azithromycin and other medicines used to treat COVID-19 patients.
Keywords: COVID-19; Corona Virus; Molecular Docking; Antiviral; Thymus Capitatus
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