MOLECULAR DOCKING OF 3-O-MICAROCYLMICAMINOCYL-5-O-FOROSAMINYLERYTHRONOLIDE-B (MMFE) TO RRNA 23S DEINOCOCCUSRADIODURANS AND THE PREDICTION OF ITS ANTIBIOTIC POTENCY

摘要

MMFE is a new derivative of erythromycin which is synthesized through hybrid biosynthetic technique. The molecular docking to rRNA 23S Deinicoccus radiodurans is accomplished to determine the model and strength of binding to the target macromolecule. The molecular docking of erythromycin-A to the same macromolecule is used as a control. The docking result of MMFE shows that it occupies the same cavity as of the experimental erythromycin-A in the same macromolecule. The binding position of MMFE is not exactly the same as erythromycin-A due to the presence of glycon dimer of MMFE molecules. According to free energy of binding, MMFE is predictably a higher potency than erythromycin-A.