000			01614nam a2200157 4500
008			250220b |||||||| |||| 00| 0 eng d
082			_bP.24-31
100			_aSathish K. Konidala
245			_aIN SILICO MOLECULAR DOCKING STUDIES OF COUMARIN-CHALCONE HYBRIDS AGAINST SARS-COV-2 MAIN PROTEASE (6LU7)
300			_aP.24-31
520			_aThe 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.
654			_aCoumarin-chalcone _amain protease _adrugs repurposing _ahybrids _aSARS-CoV-2 _amolecular docking _a6LU7
700			_aVijay Kotra
773	0		_0125265 _9109707 _dMumbai Indian Drugs Manufacturer's Association _tIndian Drugs _x0019-462X
942			_cJA
999			_c131181 _d131181