Synthesis, Anticancer Activity Evaluation, and Molecular Docking Studies of Some New Chalcone and Pyrazoline Derivatives
Chemistry and Biodiversity, vol.23, no.6, 2026 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 23 Issue: 6
- Publication Date: 2026
- Doi Number: 10.1002/cbdv.71441
- Journal Name: Chemistry and Biodiversity
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, EMBASE, MEDLINE, Natural Science Collection (ProQuest), Biomedical Reference Collection: Corporate Edition (EBSCO), Health Research Premium Collection (ProQuest), Materials Science & Engineering Collection (ProQuest), Technology Collection (ProQuest)
- Keywords: chalcone, MD studies, molecular docking, pyrazoline, VEGFR
- Anadolu University Affiliated: Yes
Abstract
In this study, a new series of chalcone (2a–2k) and pyrazoline compounds (3a–3k) activity were synthesized via Claisen–Schmidt condensation followed by cyclization reactions. The anticancer activities of compounds (2a–2k and 3a–3k) were evaluated systematically against three human cancer cell lines: human colon cancer (HT29), lung (A549), and breast (MCF-7) carcinoma cells. The compounds 2f, 2j, and 2k showed notable anticancer properties against the HT29 cancer cell lines with a favorable selectivity profile. Compounds 2f, 2j, and 2k exhibited vascular endothelial growth factor (VEGF) receptor-2 (VEGFR-2) enzyme inhibition with IC50 values of 0.118 ± 0.019, 0.071 ± 0.009, and 0.235 ± 0.069 µM, respectively. Molecular docking and molecular dynamics studies of 2f, 2j, and 2k were performed using the crystal structure of the VEGFR-2 enzyme (PDB ID: 4ASD). Furthermore, the pharmacokinetics and druglikeness of the compounds were appraised using the SwissADME program.