Synthesis of quercetin derivatives as cytotoxic against breast cancer MCF-7 cell line <i>in vitro</i> and <i>in silico</i> studies
<b>Background:</b> Quercetin being antioxidant and antiproliferative agent acts by inhibiting CDK2, with an increase in cancer prevalence there is a need to profile quercetin derivatives as CDK2 inhibitors.<b>Materials & method:</b> Schiff bases of quercetin were synthesized as cytotoxic agents against the MCF7 cell line. FTIR, <sup>1</sup>H-NMR and <sup>13</sup>C-NMR, CHNS/O analysis were employed along with <i>in vivo</i> and <i>in silico</i> activities.<b>Results & conclusion:</b> 2q, 4q, 8q and 9q derivatives have maximum cytotoxic effect with IC<sub>50</sub> values 39.7 ± 0.7, 36.65 ± 0.25, 35.49 ± 0.21 and 36.99 ± 0.45, respectively. Molecular docking also confirmed these results 8q has the highest binding potential of -9.165 KJ/mole making it a potent inhibitor of CDK2. These derivatives can be used as lead compounds as potent CDK2 inhibitors.
Authors
- Breena Awan (ORCID: https://orcid.org/0000-0003-1100-9062)
- Farhat Ullah (ORCID: https://orcid.org/0000-0001-7907-0842)
- Hammad Ahmed (ORCID: https://orcid.org/0000-0001-5433-9155)
- Javed Ahmed
- Iqra Mubeen (ORCID: https://orcid.org/0000-0002-3143-7593)
- Mohsin Abbas Khan (ORCID: https://orcid.org/0000-0002-3178-5467)
- Irshad Ahmad (ORCID: https://orcid.org/0000-0002-0451-6675)
- Muhammad Rizwan Khan (ORCID: https://orcid.org/0000-0002-8094-7522)
Institutions
- Islamia University of Bahawalpur (PK)
- King's College London (GB)
- University of Management and Technology (PK)
Publication Details
- Journal
- Future Medicinal Chemistry
- Published
- 2024-08-05
- DOI
- https://doi.org/10.1080/17568919.2024.2379241
- Citations
- 2
- Primary Topic
- Synthesis and biological activity
- Type
- article
- Field-Weighted Citation Impact
- 0.50