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Abstract
Cancer is one of the most common and deadly illnesses in the world, researchers are constantly looking for new treatment options with less adverse effects. Because of their varied bioactivities and often low toxicity, natural chemicals made from medicinal plants present intriguing substitutes. The interaction of specific phytochemicals, such as curcumin, quercetin, resveratrol, and berberine, with important cancer targets, such as the vascular endothelial growth factor receptor (VEGFR), B-cell lymphoma 2 (BCL-2), and epidermal growth factor receptor (EGFR), was examined in this study using molecular docking. Auto Dock Vina was used to run docking simulations, and interaction patterns and binding affinities were examined. The compound quercetin had the highest binding affinity for BCL-2, suggesting that it may play a part in triggering apoptosis. All of the chosen compounds showed positive interactions with important residues at the active sites of their respective targets, including hydrophobic and hydrogen bonding interactions. The potential of natural chemicals as lead structures for the creation of anticancer drugs is supported by these findings. This in silico study adds to the expanding field of green pharmacy and natural product based cancer therapeutics and offers a foundation for additional pharmacological assessments.