胡椒碱多用途活性的计算研究

Thenmozhi Marudhadurai, N. Irfan
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引用次数: 0

摘要

胡椒碱以其多功能治疗活性而闻名。它已被用于治疗各种疾病(如感冒、咳嗽等)。胡椒碱是一种在黑胡椒中发现的生物碱。具有抗炎、抗氧化、抗胆碱能、抗癌等多种药理作用。上述性质将通过选择靶蛋白COX-2蛋白、血管紧张素转换酶、乙酰胆碱酯酶和survivin进行计算对接研究。本章从对接研究的结果解释胡椒碱对选定靶蛋白的抑制特性。根据对接分数和蛋白质-配体相互作用,发现胡椒碱在选定的靶蛋白的活性位点结合良好。它确保胡椒碱对选定的靶蛋白的结合效力。对接评分和蛋白质-配体相互作用在其治疗活性中起重要作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Computational Investigation of Versatile Activity of Piperine
Piperine is known for its versatile therapeutic activity. It has been used for various disease conditions (e.g., cold, cough, etc.). Piperine is an alkaloid found in black pepper. It possesses various pharmacological actions like anti-inflammatory, anti-oxidant, anti-cholinergic, and anti-cancerous. The above-mentioned properties will be studied by selecting target proteins COX-2 protein, angiotensin converting enzyme, acetylcholineesterases, and survivin using computational docking study. This chapter explains the inhibition property of piperine against selected target protein from the results of docking studies. Based on the docking scores and protein-ligand interactions, piperine was found to bind well in the active site of the selected target proteins. It ensures the binding efficacy of piperine against selected target proteins. Docking scores and protein-ligand interactions plays an important role in its therapeutic activity.
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