Seeking for new effectual anticancer drugs is of great importance. In this study, a newly synthesized and well-characterized pyrimidine derivative (9- (4-chlorophenyl)-8-imino-7-phenyl-5,7,8,9-tetrahydro-2H-thiazolo[5',4':5,6] pyrano[2,3-d]pyrimidine-2,6 (3H)-dithione (ThPP) was prepared, then evaluated in-vitro for its anti-proliferative activity against human hepatocellular carcinoma cell line HePG-2, human breast adenocarcinoma MCF-7, colorectal carcinoma HCT-116, and Human prostate cancer PC-3 cell lines using a colorimetric MTT assay. Further, molecular docking study of data set was carried out by auto docking using CDK-8 (PDB code: 5FGK) and ER-alpha (PDB code: 3ERT) as possible target for anticancer activity. Molecular docking results demonstrated that the pyrimidine scarified compounds displayed good docking score with better interaction within crucial amino acids and corelate to their anticancer results.
Additionally, the synthesized compounds are also tested for their in vitro antioxidant activity by DPPH methods in which compounds exhibited good antioxidant activity.
The interaction of the newly synthesized compound with calf-thymus DNA (CT-DNA) was investigated at pH D 7.2 by using UV–vis absorption and viscosity measurements. also, molecular docking of the tested compounds was carried out to investigate the DNA binding affinity of the tested compound with the prospective target, DNA (PDB-: 1D12). Results indicated that the investigated compound strongly bind to CT-DNA via intercalative mode. Moreover, the prepared compound is screened for their in vitro antibacterial and antifungal activity.

Keywords: Colorectal Cancer; Pyrano[2,3-d]pyrimidine; Anticancer Activity; Docking; CDK-8; ER-alpha; DNA Binding

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Citation

Citation: Fawzia Zakaria El-Ablack., , et al. “Design, Synthesis, Molecular Docking, DNA Binding, Anticancer Antimicrobial Evaluation, of a Novel Thiazolo[5′,4′:5,6]pyrano[2,3-d]pyrimidine Derivative”.Acta Scientific Cancer Biology 8.3 (2024): 16-34.

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Copyright: © 2024 Fawzia Zakaria El-Ablack., , et al. “Study of p16INK4a Immunostaining as Specific Biomarker in the diagnosis of Cervical Intraepithelial Neoplasia and This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.