Potential drugs against COVID-19 revealed by gene expression profile, molecular docking and molecular dynamic simulation

Aim: SARS-CoV-2, an emerging betacoronavirus, is the causative agent of COVID-19. Currently, there are few specific and selective antiviral drugs for treatment vaccines to prevent contagion. However, their long-term effects can be revealed after several years, new COVID-19 should continue investigated. Materials & methods: In first step our study we identified, through a gene expression analysis, that could act on biological pathways altered in second step, performed docking simulation test properties identified target SARS-CoV-2. Results: The showed higher binding affinity bardoxolone (-8.78 kcal/mol), irinotecan (-8.40 kcal/mol) pyrotinib kcal/mol). Conclusion: We suggested some efficient treating