Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 3.4.22.69 extracted from

  • Gorai, S.; Junghare, V.; Kundu, K.; Gharui, S.; Kumar, M.; Patro, B.S.; Nayak, S.K.; Hazra, S.; Mula, S.
    Synthesis of dihydrobenzofuro[3,2-b]chromenes as potential 3CLpro inhibitors of SARS-CoV-2 A molecular docking and molecular dynamics study (2022), ChemMedChem, 2022, e202100782 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.22.69

Inhibitors

Inhibitors Comment Organism Structure
10a,11-dihydro-5aH-[1]benzofuro[3,2-b][1]benzopyran binding energy -114.3 kJ/mol, in-silico ADMET study displays excellent druggability and extremely low level of toxicity of the synthesized molecules Severe acute respiratory syndrome coronavirus 2
2-methoxy-10a,11-dihydro-5aH-[1]benzofuro[3,2-b][1]benzopyran binding energy -96.2 kJ/mol, in-silico ADMET study displays excellent druggability and extremely low level of toxicity of the synthesized molecules Severe acute respiratory syndrome coronavirus 2
2-methyl-10a,11-dihydro-5aH-[1]benzofuro[3,2-b][1]benzopyran binding energy -128.8 kJ/mol, in-silico ADMET study displays excellent druggability and extremely low level of toxicity of the synthesized molecules Severe acute respiratory syndrome coronavirus 2

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 P0DTD1 replicase polyprotein 1ab
-