Experimental and Computational Data on Indazole-Pyridine Derivatives: Synthesis, Characterization, and Anticancer Evaluation

Introduction: Breast cancer remains a major cause of cancer-related mortality among women worldwide, highlighting the need for novel therapeutic agents. Materials and Methods: Two indazole-pyridine derivatives (7i and 7j) were synthesized and characterized using FTIR, ¹H-NMR, ¹³C-NMR, and mass spectrometry. Molecular docking was performed to evaluate binding interactions. In vitro cytotoxicity against the MCF-7 cell line was assessed using the SRB assay (10-80 µg/mL). Results: Docking studies indicated stable ligand-receptor interactions. Both compounds exhibited dose-dependent cytotoxicity. Compound 7j showed strong antiproliferative activity (GI₅₀<10 µg/mL), while compound 7i showed moderate activity (GI₅₀=33.6 µg/mL). Conclusion: The presence of a pyrrolidine moiety in 7j enhances activity. These derivatives represent promising scaffolds for further optimization as anticancer agents.