Synthesis, antiproliferative and 4D-QSAR studies of thiadiazole derivatives bearing acrylamide moiety as EGFR inhibitors

ABSTRACT

As a target for clinical anti-cancer treatment, epidermal growth factor receptor (EGFR) exhibits its over-expression on various tumour cells and is associated with the development of a variety of human cancers. Herein, we described the synthesis, antiproliferative activity assay and 4D-QSAR studies of thiadiazole derivatives bearing acrylamide moiety as EGFR inhibitors. Compared with Gefitinib, some of the target compounds have excellent antiproliferative activities against EGFR-expressed A431 cell line. The robust and reliable 4D-QSAR was constructed using comparative distribution detection algorithm, ordered predictors selection and genetic algorithm method, and the following acceptable statistics are shown: r² = 0.82, Q²_LOO = 0.67, Q²_LMO = 0.61, r²_Pred = 0.78.

KEYWORDS:

• Synthesis
• 4D-QSAR
• EGFR inhibitor
• anticancer
• thiadiazole

Disclosure statement

No potential conflict of interest was reported by the author(s).

Supplementary material

Supplemental data for this article can be accessed at: https://doi.org/10.1080/1062936X.2023.2214870.

Additional information

Funding

This work was supported by the the Undergraduate Innovation and Entrepreneurship Foundation [2021CX242]; the Jiangxi Province Science Foundation [20171BAB205104].