Posted by The β-cyclodextrin-curcumin (β-CD-Cur) complex was applied in this study to modify the PVP nanofibers. The complexation of the Cur with β-CD was investigated using density functional theory (DFT) and molecular dynamics modeling. The obtained results indicated that the β-CD /Cur complex increased the solubility of this compound in an aqueous medium. The amount of drug released reached its maximum in 48 h, which is suitable for wound healing applications. Compared to unmodified nanofibers, the amount of hemolysis decreased significantly, which indicates the favorable effects of introducing the complex and its appropriate blood compatibility for clinical studies. MTT studies showed that modified nanofibers increase cell viability after 24 and 72 h. This increase is directly related to improving the concentration of the complex from 5 to 15%. The current study provides data regarding the interactions between Cur and β-CD and their combination in the polymeric matrix. Moreover, experimental results revealed the promising potential of the fabricated structure as a nanofibrous wound dressing.
Top and (b); Sid views of β-CD /Cur adsorption on PVA/PVP in the presence of water molecues by adsorption locator module in Materials Studio 2017 software.
Hossein Derakhshankhah, Rahime Eshaghi Malekshah, Zhil Izadi, Mahya Samari, Mohammad Rezaee, Hadi Samadian: Fabrication, characterization, and application of wound dressing based on PVP/PVA nanofibers containing β-cyclodextrin/curcumin complex: From in silico to in vitro studies. Journal of Molecular Liquids 386, 2023, 122500.
https://doi.org/10.1016/j.molliq.2023.122500.