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ORIGINAL ARTICLE
Year : 2012  |  Volume : 2  |  Issue : 2  |  Page : 156-162

Molecular modifications of ibuprofen using Insilico modeling system


Pharmacy Department, Oman Medical College, Muscat, Oman

Correspondence Address:
A R Mullaicharam
Pharmacy Department, Oman Medical College, Muscat
Oman
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Source of Support: None, Conflict of Interest: None


DOI: 10.4103/2231-0738.95991

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Aim: The aim of our study was to develop new ibuprofen, that is better effect and less side effect using computer aided drug design. We found totally 10 molecular modifications of ibuprofen. Accordingly structure 9 is considered as the most appropriately modified ibuprofen drug that would have significant effect than the parent ibuprofen. Objective: To study Insilico molecular modifications of ibuprofen with physiochemical properties and drug likeness parameters to develop better drug with less side effect. Materials and Method: Molinspiration and Chemsketch are the two types of softwares used to perform the molecular modelings. Result: The Structure 9 is a best candidate among 10 structures, because it is similar to acelofenac, derivative of diclofenac which is already available in the market. Detailed molecular modeling using Dockin studies and toxicities studies can be carried out before synthesis of these derivatives.


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