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Interactions between Ibuprofen and Silicified-MCC: Characterization, Drug Release and Modeling Approaches

Rudra Narayan Sahoo, Ashirbad Nanda, Arunima Pramanik, Souvik Nandi, Rakesh Swain, Sukanta Kumar Pradhan, Subrata Mallick

Abstract


Analysis of the binding interactions of ibuprofen and silicified-microcrystalline cellulose (SMCC) has been undertaken. Co-processing of ibuprofen with SMCC was carried out by solid state ball milling, and aqueous state equilibration followed by freeze drying to investigate the effect of silicified-microcrystalline cellulose on ligand. Molecular docking study revealed that ibuprofen formed complex through hydrogen bond with microcrystalline cellulose (MCC) and silicon dioxide (SiO2); the binding energy between MCC and SiO2, and ibuprofen and SMCC were found as -1.11 and -1.73 kcal/mol respectively. The hydrogen bond lengths were varying from 2.028 to 2.056 Å. Interaction of Si atom of SMCC molecule with Pi-Orbital of ibuprofen has shown the bond length of 4.263 Å. Significant improvement in dissolution of ibuprofen has been observed as a result of interaction. Binary and ternary interactions revealed more stabilizing interactions with ibuprofen and SMCC compared to SMCC formation.

Keywords


Co-processing; silicified microcrystalline cellulose; Docking analysis; Binary interaction; Ternary interaction.

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DOI: http://dx.doi.org/10.17344/acsi.2019.5139

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Copyright (c) 2019 Rudra Narayan Sahoo, Subrata Mallick

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