STRUCTURE-BASED MULTITARGETED MOLECULAR DOCKING ANALYSIS OF PYRAZOLE-CONDENSED HETEROCYCLICS AGAINST LUNG CANCER

Objective: The significant drawbacks of chemotherapy are that it destroys healthy cells, resulting in adverse effects. Hence, there is a need to adopt new techniques develop cancer-specific chemicals target the molecular pathways non-toxic fashion. This study aims screen pyrazole-condensed heterocyclics for their anticancer activities and analyse enzyme inhibitory potentials EGFR, ALK, VEGFR TNKS receptors. Methods: structures compounds were confirmed by IR, NMR Mass spectral studies. silico applied this docking pharmacophore modeling protein-ligand interactions, as they have role drug discovery. Drug-likeness properties assessed Lipinski rule five ADMET properties. Anticancer activity was performed vitro MTT assay on lung cancer cell lines. Results: results confirm all synthesised pyrazole derivatives interacted well with selected targets showing scores above-5 kcal/mol. Pyrazole 2e four its stable binding mode found be potent per reports, followed 3d 2d. Pharmacophore exposed responsible features action. reported within standard limit. spectra pyrazoles predicted pyrazolopyridines (2a-2e) more effective against specific receptors such ALK Tankyrase. Conclusion: Thus, suggests can further investigated validate vivo