Quinazoline analogues as cytotoxic agents; QSAR, docking, and in silico studies.

ABSTRACT:

Background and purpose

Synthesis and investigation of pharmacological activity of novel compounds are time and money-consuming. However, computational techniques, docking, and in silico studies have facilitated drug discovery research to design pharmacologically effective compounds.

Experimental approach

In this study, a series of quinazoline derivatives were applied to quantitative structure-activity relationship (QSAR) analysis. A collection of chemometric methods were conducted to provide relations between structural features and cytotoxic activity of a variety of quinazoline derivatives against breast cancer cell line. An in silico-screening was accomplished and new impressive lead compounds were designed to target the epidermal growth factor receptor (EGFR

SUBMITTER: Emami L 

PROVIDER: S-EPMC8407157 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature