MOLECULAR DOCKING OF

D6-ANHYDROERYTHROMYCIN TO rRNA 23S Deinococcus radiodurans AND THE PREDICTION OF ITS ANTIBIOTIC POTENCY

https://doi.org/10.22146/ijc.21546

Winarto Haryadi(1*), Umar Anggara Jenie(2), Retno Sunarminingsih Sudibyo(3), Harno Dwi Pranowo(4), Fajar Rakhman Wibowo(5)

(1) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Gadjah Mada University, Yogyakarta
(2) Faculty of Pharmacy, Gadjah Mada University, Yogyakarta
(3) Faculty of Pharmacy, Gadjah Mada University, Yogyakarta
(4) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Gadjah Mada University, Yogyakarta
(5) Departmen of Chemistry, Faculty of Mathematics and Natural Sciences, Sebelas Maret State University, Surakarta
(*) Corresponding Author

Abstract


D6-anhidroeritromisin-A is a new derivative of erythromycin which is synthesized through biosynthetic engineering technique. The molecular docking in rRNA 23S Deinoccocus radiodurans are accomplished to determine the model and strength of binding to the target macromolecule. The molecular docking of erythromycin-A and 6-deoksieritromisin-A to the same macromolecule is used as a control. The docking result of the D6-anhidroeritromisin-A shows that it occupies the same cavity as of the experimental erythromycin-A in the same macromolecule. The binding position of D6-anhidroeritromisin-A is not exactly same as erythromycin-A and 6-deoksieritromisin-A due to the presence of D6 unsaturated double bond. However the hydroxyl group(OH) at C-6 does not have an apparent effect on the binding model to rRNA23S D. radiodurans.


Keywords


D6-anhidroeritromisin-A; rRNA 23S D. radiodurans; molecular docking; antibiotic potency

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DOI: https://doi.org/10.22146/ijc.21546

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Indonesian Journal of Chemisty (ISSN 1411-9420 / 2460-1578) - Chemistry Department, Universitas Gadjah Mada, Indonesia.

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