Molecular docking analysis of VEGF with compounds from tomato

Area of Science:

• Biochemistry
• Molecular Biology
• Pharmacology

Background:

• Vascular Endothelial Growth Factor (VEGF) plays a critical role in angiogenesis and is implicated in Non-small Cell Lung Carcinoma (NSCLC) progression.
• Targeting VEGF is a recognized strategy in NSCLC treatment, necessitating the search for novel therapeutic agents.

Purpose of the Study:

• To investigate the potential of naturally occurring compounds from tomatoes as inhibitors of VEGF.
• To perform molecular docking analyses to assess the binding affinity of tomato-derived compounds with VEGF for drug discovery applications.

Main Methods:

• Utilized molecular docking simulations to analyze the interactions between VEGF and selected phytochemicals from tomatoes.
• Evaluated binding energies and interaction patterns to identify compounds with high affinity for VEGF.

Main Results:

• Kaempferol-3-O, Quercetin, Naringenin, and Rutin demonstrated significant binding affinity to VEGF.
• These compounds exhibited optimal binding, suggesting their potential as VEGF inhibitors.

Conclusions:

• Tomato-derived compounds, specifically Kaempferol-3-O, Quercetin, Naringenin, and Rutin, show promise for NSCLC drug discovery.
• Further research into these compounds could lead to the development of new therapeutic strategies targeting VEGF in lung cancer.