Computational Evaluation of Tridax Procumbens Phytoconstituents in Wound Healing Process

利用计算机方法评价蓼科植物三叶草成分在伤口愈合过程中的作用

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Abstract

Wound healing is a multicellular and complicated process that strives to restore the skin's barrier function. Different cell types, including keratinocytes, endothelial cells and fibroblasts collaborate for the process to complete. Tridax procumbens is a very important natural plant that is commonly found in the tropical region and has a wide range of pharmacological actions. In the present study the molecular docking was used to identify the activity of four compounds from T. procumbens to the selected receptor. The goal of this work was to anticipate the capacity of four T. procumbens compounds to interact with IL-1, IL-6, and TNF-α. Pyrx was used to run docking simulations for these compounds. Results of this study showed that all the four compounds showed interaction with selected target proteins. Among the four compounds, Tannic acid showed excellent binding and hydrogen bond interaction with all the selected target proteins. The results showed that T. procumbens compounds are effective anti-inflammatory agents. However, further research is required to validate the action of these molecules.

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