Hemigraphis Alternata (Burm.F.)中化合物的亲和力叶下对环氧合酶1 (COX-1)的反应

Yeni Yeni, Rizky Rizky Arcinthya Rachmania, Dicky Yanuar M R Mochamad
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引用次数: 2

摘要

炎症是消灭病原体和维持组织稳态的重要生物过程。环氧合酶1 (COX-1)是抗炎药物的药理靶点之一。本研究的目的是预测半金莲叶中含有的23种化合物对COX-1的抑制作用。以阿司匹林为参比,利用对接软件DOCK 6.9筛选半金莲叶片化合物对COX-1的亲和力。根据Grid评分,结合亲和度最高的是3,7,11,15-四甲基-2-十六烯-1-醇。其对COX-1的亲和力优于阿司匹林。研究表明,金钗叶含有潜在的活性成分,可开发为cox -1抑制剂。
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Affinity of Compounds in Hemigraphis Alternata (Burm.F.) T. Ander Leaves to Cyclooxygenase 1 (COX-1): In Silico Approach
Inflammation is an important biological process for eradicating pathogens and maintaining tissue homeostasis. Cyclooxygenase 1 (COX-1) is one of the pharmacological targets for anti-inflammatory drugs. The purposes of this study was to predict the affinity of 23 compounds contained in Hemigraphis alternata leaves in inhibiting COX-1. The compounds of Hemigraphis alternata leaves were screened for its affinity towards COX-1 using docking software, DOCK 6.9, with aspirin as the reference. Based on the Grid score, the greatest binding affinity is referred to 3,7,11,15-tetramethyl-2-hexadecen-1-ol. It is better than affinity of aspirin to COX-1. The study showed that Hemigraphis alternata leaves contain potential active components that could be developed as COX-1-inhibitor.
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