* Corresponding Author
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
Full Text:
Full Text PDFReferences
[1] Sakakibara, H. and Omura, S., 1984, Chemical Modification and Structure-Activity Relationship of Macrolides in Satoshi Omura (Ed) : Macrolide Antibiotics : Chemistry, Biology and Practise, Academic Press, Orlando
[2] Omura, S. and Tanaka, Y., 1984, Biochemistry, Regulation and Genetics of Macrolide Production in Mura S (ed) : Macrolide Antibiotics : Chemistry, Biology and Practise, Academic Press, Orlando
[3] Fass, R.J., 1993, Antimicrob. Agents Chemother., 37, 10, 2080-2086.
[4] Lovmar, M., Nilson, K., Vimberg, V., Tenson, T., Nervall, M., and Ehrenberg, M., 2005, J. Biol. Chem., 281, 6742-6750.
[5] Schlünzen, F., Zarivach, R., Harms, J., Bashan, A., Tocilj1, A., Albrecht, R., Yonath, A., and Franceschi, F., 2001,Nature, 413, 814-821
[6] Sudibyo, R.S., Jenie, U.A., and Haryadi, W., 1999a, Indo. J. Biotechnol., 311-316.
[7] Haryadi, W., 2000, Biosintesis D6,7-Anhidroeritromisin Melalui penghambatan reduksi enoil oleh isoniazid, Thesis, Program Pasca sarjana, Universitas Gadjah Mada, Yogyakarta
[8] Arianingrum, R., 2002, Biosintesis D6,7-Anhidroeritromisin Melalui Penghambatan Reduksi Enoil Oleh Isoniazid Pada Fermentasi Saccharopolyspora erythraea ATCC 11635, Thesis, Program Pasca Sarjana, Universitas Gadjah Mada, Yogyakarta
[9] Khairan, 2004, Produksi D6,7AnhidroeritromisinA dari Biakan Saccharopolyspora erythraea ATCC 11635, Thesis, Program Pasca Sarjana Universitas Gadjah Mada, Yogyakarta
[10] Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K., and Olson, A.J., 1998, J. Comput. Chem., 19, 14, 1639-1662
DOI: https://doi.org/10.22146/ijc.21546
Article Metrics
Abstract views : 1790
| 
views : 1583
Copyright (c) 2010 Indonesian Journal of Chemistry
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
Indonesian Journal of Chemistry (ISSN 1411-9420 /e-ISSN 2460-1578) - Chemistry Department, Universitas Gadjah Mada, Indonesia.