Identification of doxorubicin as a potential therapeutic against SARS-CoV-2 (COVID-19) protease: a molecular docking and dynamics simulation studies

QM Sajid Jamal, AH Alharbi… - Journal of Biomolecular …, 2022 - Taylor & Francis
After one year, the COVID-19 pandemic caused by SARS-CoV-2 is still the largest concern
for the scientific community. Of the many recognized drug targets of SARS-CoV-2, the main
protease is one of the most important target due to its function in viral replication. We
conducted an in silico study with repurposing drugs of antibiotics class against virus
protease and peptidase using AutoDock tool. The following significant binding energy
interaction was observed with protease (PDB: 6LU7) like piperacillin–7.25; tobramycin–9.20 …

[PDF][PDF] Identification of doxorubicin as a potential therapeutic against SARS-CoV-2 (COVID-19) protease: a molecular docking and dynamics simulation studies

QMS Jamala, AH Alharbia, V Ahmadb - academia.edu
After one year, the COVID-19 pandemic caused by SARS-CoV-2 is still the largest concern
for the scientific community. Of the many recognized drug targets of SARS-CoV-2, the main
protease is one of the most important target due to its function in viral replication. We
conducted an in silico study with repurposing drugs of antibiotics class against virus
protease and peptidase using AutoDock tool. The following significant binding energy
interaction was observed with protease (PDB: 6LU7) like piperacillin–7.25; tobramycin–9.20 …
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