Biophysical and computational analyses of interaction of 2D MoS2 nanosheets with human haemoglobin coupled with NIR activated photothermal therapy.

Molybdenum disulfide (MoS2) is one of the most extensively studied 2-dimensional transition metal dichalcogenides (2D TMDCs) owing to its high optical absorption in the near-infrared region. In this work, MoS2 nanosheets (MoS2 NSs) were synthesized hydrothermally and characterized using XRD, DLS, FESEM, TEM, FTIR, XPS and Raman analyses. They exhibited a higher photothermal conversion efficiency under 808 nm laser irradiation (79%) compared to that under 980 nm laser irradiation (25%). In vitro studies revealed that the treatment of cancer cells with MoS2 nanosheets and subsequent NIR laser irradiation lead to robust photothermal cell death. Elevated levels of ROS were observed in the cells subjected to MoS2 NS-mediated NIR photothermal therapy. Furthermore, as blood plasma is known to play a crucial role in drug delivery and targeting, we have probed the mechanistic interaction between MoS2 NSs and human haemoglobin (Hb) using biophysical and in silico investigations. The results indicated that MoS2 NSs successfully bind to Hb, causing secondary structure expansion and microenvironment alterations of the heme protein via formation of a ground state complex. Therefore, this work may serve as a precedent for understanding the mechanism of interaction of biological macromolecules with the efficient NIR-activated photothermal agent MoS2 NSs. [ABSTRACT FROM AUTHOR]

Copyright of New Journal of Chemistry is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)