Synthesis, Molecular Docking Studies and ADME Properties of Some New Pyrazolo[1,5-a]pyrimidines as Antimicrobial, and Anticancer Agents | ||
| Egyptian Journal of Chemistry | ||
| Volume 67, Issue 6, June 2024, Pages 307-316 PDF (1012.37 K) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2023.246672.8840 | ||
| Authors | ||
| Haytham Dweedar1; Hoda Mahrous1; Noha Sorour1; Khalid Abd El Ghany2; Hatem Abdel Aziz* 3 | ||
| 1Industrial Biotechnology Department, Genetic Engineering and Biotechnology Research Institute (GEBRI), University of Sadat City, Egypt | ||
| 2Microbiology department, Egyptian drug authority, Cairo, Egypt | ||
| 3Applied Organic Chem, NRC | ||
| Abstract | ||
| New antibacterial and anticancer drugs are needed to protect global health. Purine anti-cancer analogs are structurally similar but act differently. In this study, a series of new pyrazolo[1,5-a]pyrimidines 5a-g, 9a-c and pyrazolo[3,4-b]pyridines 15a, b were synthesized to evaluate their in vitro antibacterial efficacy against various microbial species. Pyrazolo[1,5-a]pyrimidine derivatives 5a and 5g showed moderate antibacterial efficacy against Staphylococcus aureus and Bacillus subtilis. In vitro antitumor activity of 5a-g, 9a-c and 15a, b against Lung carcinoma (A-549), promyelocytic Leukemia (HL-60) and breast cancer MCF-7 showed that 5d exhibited significant anticancer activity towards A-549 with IC50 value = 7.19±0.34 µM when compared to cisplatin (IC50=7.48±0.56 µM). The molecular docking study of 5d showed good binding scores in the active site of CK2 and CDK9. The molecule's physicochemical, pharmacokinetic, and drug-like properties were assessed for the synthesized compounds using the SwissADME database. The molecular properties data showed that all compounds obey Veber rule with zero violations, indicating drug-likeliness. | ||
| Keywords | ||
| Pyrazolo[1,5-a]pyrimidine; Antimicrobial activity; Anticancer activity; A-549 cell line: Molecular docking | ||
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