Design, Synthesis, and Investigation of the Biological Activities of New Thiadiazole Derivatives With Anticancer Effects
Chemical Biology and Drug Design, vol.108, no.3, 2026 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 108 Issue: 3
- Publication Date: 2026
- Doi Number: 10.1111/cbdd.70398
- Journal Name: Chemical Biology and Drug Design
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE, Academic Search Ultimate (EBSCO), Biomedical Reference Collection: Corporate Edition (EBSCO)
- Keywords: breast cancer, molecular docking, molecular dynamics, thiadiazole
- Bilecik Şeyh Edebali University Affiliated: No
Abstract
Breast cancer is one of the most significant diseases in today's world. Hormone-dependent breast cancers constitute a significant portion of breast cancers. A series of thiadiazole derivative compounds have been designed to provide a rational alternative to aromatase inhibitors, which are actively used in related cancer treatments. The designed compounds were synthesized in three steps, and their structures were elucidated using 1H-NMR, 13C-NMR, and HRMS spectroscopic methods. The inhibitory potentials of the obtained compounds were investigated using in vitro and in silico methods. In the studies conducted, compound 3c stood out with its scores and values. Compound 3c demonstrated inhibitory activity with an IC50 of 4.896 ± 0.210 μM against the tested cell line and an IC50 of 0.078 ± 0.003 μM against aromatase.