Abstract

In the current study, we fabricated an analgesic and anti-injury scaffold nanofibrous scaffold based on berberine-loaded electrospun nanofibers. First off, we applied simulation studies using Material Studio software and Condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies (COMPASS III) forcefield to assess the interactions between the components of the structure. Then, the electrospinning method was used to synthesize the nanofibers and the nanofibers were characterized using SEM imaging, Liquid displacement method, release kinetics, DPPH assay kit, and MTT assay kit. The results of simulation studies revealed that the non-separation of berberine molecules from the polymer indicates the attractive interaction between the berberine and the PVP polymer and has created an interwoven structure. The findings of molecular dynamics are consistent with the results obtained from experimental data. Therefore, molecular dynamics simulation can be used as a virtual laboratory in research involving berberine and PVP polymer. The characterizations showed that the nanofibers are uniform, without any deformity and bead, with smooth surfaces. Moreover, the addition of Ber in different concentrations did not alter the structure of nanofibers. The porosity of the nanofibrous scaffolds was in the range of 50–70 %. The DPPH radical scavenging showed a dose-dependent antioxidant activity. MTT assay showed that the nanofibers were biocompatible. The results implied that the fabricated berberine-loaded electrospun nanofibers possess promising properties and can be applied as an analgesic and anti-injury scaffold.

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