• Salah Belaidi Group of Computational and Pharmaceutical Chemistry, Laboratory of Molecular Chemistry and Environment, University of Biskra, BP 145 Biskra 07000, Algeria
  • Maroua Fattouche Group of Computational and Medicinal Chemistry, LMCE Laboratory, Department of Chemistry, Faculty of Exact Sciences, Biskra University, Biskra 07000, Algeria.
  • Touhami Lanez VTRS Laboratory, University of Echahid Hamma Lakhdar, B.P.789, 39000, El Oued, Algeria



16-membered macrolide, SAR, molecular mechanics, molecular dynamics, Boltzmann distribution


This study is a fundamental research on the structure- activity relationships in 16-membred macrolides. It is based on the molecular modelling (molecular mechanics, molecular dynamics, distribution de Boltzmann, PM3, SAR,). We defined the structural motives intervening in antibiotic macrolide properties. The compounds substituted in positions (C2, C4, C8, and C15) are the most stables and the less stable is substituted in C12.  The rokitamycine which has the most elevated value of partition coefficient: 3.06. This antibiotic is lipophilic, so it has good permeability across the biological membrane, better fixation on plasma proteins and elimination by metabolic route.


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Brandena K. V., and Verbovenb S., Comput. Biol. Chem, 2009, 33.

Grant G., Richards W., ‘’Computational Chemistry’’, Oxford Chemistry Primers, Oxford, 1995.

Bakir M., and Gyles C., J. Mol. Structr., 2009, 918,138.

Pajak J., Maes G., Borggraeve W. M., Boens N., and Filarowski A., J. Mol. Structr. 2008, 880, 86.

Leeuw N. H., Mkhonto D., and Catlow C. R. A., J. Phys. Chem. B, 2003, 107, 1.

Mosier P. D., and Jurs P. C., J. Chem. Inf. Comput. Sci., 2002, 42, 1460.

Sánchez D. S., Muner D. S., Porcar N. S., Archivos de Bronconeumología (English Edition), 2010,46, 244-254.

Hlavica P., Biotechnology Advances, 2009, 27,103.

Belaidi S., Laabassi M., Grée R., and Botrel A., Rev. Roum. Chem. 2005, 50, 759.

Ouassaf M., Belaidi S., Lotfy K., Daoud I., Belaidi H., J. Bionanosci., 2018, 12, 26-36.

Dermeche K., Tchouar N., Belaidi S., Salah T., J. Bionanosci.2015, 9,395-400

Ouassaf M., Belaidi S., Khamouli S., Belaid H., Chtita S., Acta Chim. Slov.2021, 68, 289–303

VanBambeke F., Verhaegen J., Tyteca D., Auckenthaler R., and Tulkens P. M., Louv. Med., 2000, 119, 259.

Kaisalo L., thèse de doctorat, Université d’Helsinki, 2002, pp. 11.

Almi Z., Belaidi S., Segueni L., Rev. Theor. Sci. 2015, 3, 264-272

Kerassa A., Belaidi S., Harkati D., Lanez T., Prasad O., Sinha L., Rev. Theor. Sci., 2016, 4, 85-96

Deleu M., thèse de doctorat es sciences, FUSAGx, Belgique, 2000.

Statistical Physics. Course of Theoretical Physics. Vol. 5 (3 ed.). Oxford: Pergamon Press,1980

HyperChem (Molecular Modeling System) Hypercube, Inc., 1115 NW 4th Street, Gainesville, FL 32601; USA, 2009.

C.S.Chem 3D Ultra (Molecular modeling and Analysis), Cambridge Soft Corporation, 875, Massachusetts, Avenue Cambridge, Massachusetts, 02139 U.S.A, 2007.

Hocquet A., Act. Chim. 1997, 7, 24.

Allinger N. L., Zhou X., and Bergsma J., J. Mol. Structr. (Theochem), 1994, 312, 69.

Allinger N L., J. Am. Chem. Soc., 1977, 99, 8127.

Belaidi S, Omari M, Lanez T and Dibi A, J. Soc. Alger. Chim., 2004,14, 27-39

Van Bambeke F., Tyteca D., Ouadhriri Y., Tulkens P M., Louv. Med., 1999, 118, 43

Belaidi S., Dibi A., and Omari M., Turk J., Chem., 2002, 26, 491.

Belaidi S. Almi Z. , Bouzidi D., J. Comput. Theor. Nanosci. 2014, 11, 2481-2488

Belaidi S., Mazri R., Belaidi H., Lanez T., Bouzidi D., Asian J. Chem., 2013, 25, 9241-9245

. Van Bambeke F., Tulkens P M., Med. Mal. Infect., 2009 , 39, 483-92.

. Morimoto S., Nagate T., Sugita K., Ono T., Numata K., Miyachi Y., Omura S., J. Antibiot. Tokyo, 1990, 43, 295

. Miller K J., J. Am. Chem. Soc., 1990, 112, 8533.

. Yavorski B., and Detlaf A., ‘’Aide-mémoire de physique’’, p.376, Editions Mir, Moscou, 1980.




How to Cite

BELAIDI, S. .; FATTOUCHE , M. .; LANEZ , T. . STRUCTURAL INVESTIGATIONS AND STRUCTURE-ACTIVITY RELATIONSHIPS IN A SERIE OF NEW ANTIBIOTIC 16- MEMBERED MACROLIDES. Journal of Fundamental and Applied Sciences, [S. l.], v. 16, n. 1, p. 36–49, 2024. DOI: 10.4314/jfas.1355. Disponível em: Acesso em: 21 jun. 2024.