Investigation of interaction of nuclear fast red with human serum albumin by experimental and computational approaches

- Experimental approaches including UVvis, F, DPV, LSV, and CV were applied.
- The experimental data was augmented and resolved by MCR-ALS.
- Binding of NFR to HSA was modeled by molecular modeling and MD simulations.
- The results of experimental and computational approaches were compatible.
- The obtained results suggested that the NFR binds mainly to the sub-domain IIA of HSA.