In Vitro and In Silico Studies on 4-Nitroacetophenone Thiosemicarbazone Potential Cytotoxicity Against A549 Cell...

Area of Science:

• Medicinal Chemistry
• Oncology
• Molecular Biology

Background:

• Lung malignancy is a global health concern with high mortality due to late detection.
• Dysregulation of growth factors contributes to lung cancer development.
• Novel therapeutic agents are crucial for effective lung cancer treatment.

Purpose of the Study:

• To synthesize and characterize a novel chemical entity, 4-nitro acetophenone thiosemicarbazone (4-NAPTSc).
• To evaluate the in vitro cytotoxicity of 4-NAPTSc against the A549 lung cancer cell line.
• To investigate the molecular interactions of 4-NAPTSc with key cancer-related proteins using molecular docking.

Main Methods:

• Synthesis of 4-NAPTSc from 4-nitro acetophenone and thiosemicarbazide.
• Characterization using UV-Vis, FTIR, NMR, and Differential Scanning Calorimetry (DSC).
• Cytotoxicity assessment via MTT assay and molecular docking against EGFR, PLK1, and VEGFR.

Main Results:

• A novel yellow crystalline solid, 4-NAPTSc, was successfully synthesized and characterized.
• 4-NAPTSc exhibited potent cytotoxicity against A549 cells with an IC50 of 2.93 μg/mL.
• Molecular docking indicated favorable binding interactions with target proteins, suggesting inhibitory potential.

Conclusions:

• 4-NAPTSc demonstrates significant anti-lung cancer activity in vitro.
• The compound's favorable binding profile suggests potential for multitargeted cancer therapy.
• Further investigation of 4-NAPTSc is warranted for its therapeutic development.