a Department of Pharmaceutical Sciences, Vignan’s Foundation for Science Technology and Research, Guntur- 522 213, Andhra Pradesh, India
b Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Quest International University, IPOH, Malaysia
c School of Pharmaceutical Sciences, Sandip University (SUN), Mahiravani, Nashik - 422 213, Maharashtra, India
d Nirmala College of Pharmacy, Atmakuru, Managalagiri-522 503, Andhra Pradesh, India
e Department of Pharmacology, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada-520 010, Andhra Pradesh, India
f Department of Pharmaceutical Chemistry, K L College of Pharmacy, Koneru Lakshmaiah Education Foundation, Vaddeswaram, Guntur – 522 302, Andhra Pradesh, India
g Department of Biomedical Sciences, Neuroscience Lab, University of North Dakota School of Medicine and Health Sciences, Grand Forks, ND, USA, 58203
* For Correspondence: E-mail: sathishkonidala@gmail.com
https://doi.org/10.53879/id.61.05.14441
ABSTRACT
The present work aimed to explore efficient lead molecules to combat against COVID-19. Despite the extensive usage of repurposed medications for COVID-19 therapy due to their inadequacy to proper control of endangered pandemic, there is an urgent need to discover innovative compounds that are very effective against the COVID-19 pandemic. Newly synthesized coumarin-chalcone hybrids were assessed for their efficacy to inhibit main protease 6LU7(Mpro) and compared it with some repurposing COVID-19 drug activity through in silico technique. Among all synthesized hybrids, d11, a11, c12, b11 and c5, showed highest binding affinities with the least docking score against protease (PDB ID: 6LU7) protein comparable to repurposed drugs currently used against COVID-19. The selected hybrids having coumarin, chalcone, and dihydropyridine pharmacophores are promising for their anti-COVID-19 activity. However, further extensive research is required through suitable in vitro and in vivo methods.
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