期刊
BIOORGANIC CHEMISTRY
卷 101, 期 -, 页码 -出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.bioorg.2020.103976
关键词
Benzothiazole; Cyano pyrimidine; NCI; Dual EGFR/HER2 inhibitor; Multitarget; Thymidylate synthase; Antitumor activity; Molecular docking
资金
- Beni-Suef University, University Performance Development Center, Support and Project Finance Office, Beni-Suef, Egypt
Multi-targeted anticancer drugs are in focus as a promising research topic. A new series of benzothiazoles hy-bridized with pyrimidine moiety was designed and synthesized using the lead compound 4a. Various chemical modifications on the pyrimidine ring of 4a at four different positions were done in a trial to get new multi -targeted anticancer agents. The structures of the newly synthesized compounds were established on their ele-mental analyses and spectral data. All final synthesized derivatives were submitted to the National Cancer Institute (NCI), USA, to be screened for their in vitro anticancer activity. Further evaluation for the cytotoxic activity of the most active compounds was performed using the MTT assay method. Compounds 4d, 8d, 8h, 8i and 17 were then selected for examining their in vitro enzyme inhibitory activities against EGFR, HER2 and TS enzymes using lapatinib and 5FU as standards. Furthermore, cell cycle analysis and apoptosis induction de-tection were also evaluated. Finally, molecular docking studies were carried out for compounds 4d, 8d, 8h, 8i and 17 to interpret their observed enzymatic activities based on the ligand-protein interactions.
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