ISSN 0976-4550  
DOI: 10.21276/Ijabpt  
 
 
 
Peer Reviewed Online International Journal of Applied Biology and Pharmaceutical Technology www.ijabpt.com
 

EVALUATION OF NOVEL CURCUMIN DERIVATIVES AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS (MRSA)  Page No 111 to 120, Volume-8, Issue-3, July-Sept-2017  

Noor Nihad Abdul Hussein, Jayasimha Rayalu Daddam, E.Maruthi Prasad, N.V.Naidu

Methicillin resistance mediated by PBP2a protein is a serious issue limiting treatment options and necessitating the search of newer safe and effective alternative treatment regimens. The Multiple Drug Resistance in MRSA (Methicillin Resistant Staphylococcus aureus) has become a major clinical problem worldwide. This study is an attempt to evaluate the potential of the plant product ‘Curcumin’ and its derivatives as effective antibacterial agents against MRSA by means of In-silico and In-vitro studies. A series of 25 derivatives of Curcumin were constructed and optimized using Chemsketch Software. Molecular docking was performed using the GOLD (Genetic Optimization of Ligand Docking) software which is based on genetic algorithm (GA), to study the binding orientation of these derivatives into the PBP2a Protein structure.  Among the Curcumin Derivatives tested, Derivatives No 11 and 16 showed better docking fitness values compared to other Derivatives and also Curcumin. The Molecular, Physicochemical, and Biological properties were determined using Molinspiration Cheminformatics softwares for compounds showing better docking scores. These compounds were further subjected to Toxicity Predictions using the Osiris Software. The anti MRSA activity was further confirmed by In-vitro studies using Muller-Hinton Agar well diffusion method. The inhibitory activity of the selected derivatives was compared with Parent compound Curcumin and Vancomycin. The synthesized Compounds showed effective and comparable inhibitory activity to Curcumin and vancomycin on MRSA.

Key words: MRSA, Curcumin, Docking studies, Molinspiration, Osiris software

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