The interaction of BZTs with human serum albumin was deciphered for the first time.
Fluorescence of human serum albumin was quenched in a concentration-dependent mode.
BZTs bind at the Sudlow site I site with distinct binding modes.
Minor changes in the moieties of BZTs may affect their interactions with HSA.
Our in vitro and in silico approach is helpful to assess risk of BZTs chemicals.