Chemistry behind the Synergism of Diclofenac and Vitamin B1
- Chemistry Department, Faculty of Science, Cairo University, Giza 12613, Egypt.
- National Organization for Drug Control and Research, Giza 12613, Egypt.
- Faculty of Oral and Dental Medicine, Future University in Egypt (FUE), New Cairo, Egypt.
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A thorough study of the synergism of diclofenac and vitamin B1 was performed using different spectroscopic tools and molecular modeling. We aim to clarify the type of interaction of the studied drugs and how they act together by studying the chemistry of their synergism. The drugs were found to react with each other by non-covalent interactions. The predicted structure by molecular simulation is online with IR and 1H-NMR results. Mass spectrometry was used to confirm the interaction of the drugs. Molecular docking studies were performed to investigate the interaction of the individual drugs and their interaction product with the human cyclooxygenase-2 enzyme (COX-2). The potential energy of the docking results shows that the affinity of the vitamin to COX-2 protein is greater than that of diclofenac. Moreover, vitamin B1 was found to share the active site of COX-2 with diclofenac. As a result, the attachment of the substrate will be hindered more effectively due to blocking of possible active sites and conformational changes of the enzyme structure. Consequently, the drugs act synergistically to inhibit the biosynthesis of prostaglandins inside the human body.
[Omaima E. Sherif, Yousry M. Issa and Ahmed S. Abo Dena (2015); Chemistry behind the Synergism of Diclofenac and Vitamin B1 Int. J. of Adv. Res. 3 (Aug). 969-976] (ISSN 2320-5407). www.journalijar.com
