• Ghalia Sabbagh Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Aleppo Aleppo University Street, Aleppo, Syria
  • Noura Berakdar University of Aleppo


Objective: Fatty acid biosynthesis is essential for bacterial survival. Components of this biosynthetic pathway have been identified as attractive targets for the development of new antibacterial agents. β–Ketoacyl acyl carrier protein synthase (KAS) II is a key catalyst in bacterial fatty acid biosynthesis. It is related to control the temperature dependent regulation of fatty acid composition.

Methods: Structure of KasII (FabF) was retrieved from the Protein Data Bank and the structures of flavonoid compounds have been collected from zinc database. Molecular docking and drug likeness studies were performed for those natural compounds to evaluate and analyze the anti-antimicrobial activity.

Results: Finally one compound, Casticin binds to KAS II with the most favorable binding energy (-112.5 kcal/mol) whereas the reference (-92.76 kcal/mol). The fitness score of the compound suggest that this lead can be formulate as an antimicrobial activities drug against gram-negative Pseudomonas aeruginosa.

Conclusions: The results of this study can be implemented in vitro and in vivo in the drug designing pipeline.


Keywords: Pseudomonas aeruginosa, Fatty acid synthases, KAS II, Docking, Flavonoids, iGEMDOCK


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How to Cite
Sabbagh, G., and N. Berakdar. “MOLECULAR DOCKING STUDY OF FLAVONOID COMPOUNDS AS INHIBITORS OF Î’-KETOACYL ACYL CARRIER PROTEINSYNTHASE II (KAS II) OF PSEUDOMONAS AERUGINOSA”. International Journal of Pharmacy and Pharmaceutical Sciences, Vol. 8, no. 1, Nov. 2015, pp. 52-61,
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