53 As a result, molecular docking was used to evaluate the hypothesis regarding ligand inhibition of the target by calculating ligand-receptor binding energy, which is extremely significant in drug design. 54 In the presence of antibiotics, many studies used molecular docking to test the hydrolytic activity of beta lactamase enzymes. 55 To determine the extent of affinity between 7 antibiotics (Ampicillin, Aztreonam, Cefaclor, Cefotaxime, Doripenem, Imipenem, and DB04293 (CHEMBL3545874)) and oxa-51 variants, molecular docking was done using Autodock-vina and Galaxy Europe server (for grid box generation).
← all excerpts
Oxa-376 and Oxa-530 variants of β-lactamase: computational study uncovers potential therapeutic targets of <i>Acinetobacter baumannii</i>.
1
—
—