Synthesis, Anticancer Activity Evaluation, and Molecular Docking Studies of Some New Chalcone and Pyrazoline Derivatives
Chemistry and Biodiversity, cilt.23, sa.6, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 23 Sayı: 6
- Basım Tarihi: 2026
- Doi Numarası: 10.1002/cbdv.71441
- Dergi Adı: Chemistry and Biodiversity
- Derginin Tarandığı İndeksler: 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)
- Anahtar Kelimeler: chalcone, MD studies, molecular docking, pyrazoline, VEGFR
- Bilecik Şeyh Edebali Üniversitesi Adresli: Hayır
Özet
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.