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

Abstract| Introduction| Case Presentation| Discussion| Conclusion and Recommendations| Conflicts of interest| Acknowledgment| References|