Molecular docking tangeretin and kaempferol compound against antiapoptotic Bcl-xL: in silico study

Siska Febdian Nitami, Rifki Febriansah
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引用次数: 1

Abstract

The plants that can be developed as a chemopreventive agent are orange peel (Citrus reticulata) and tea leaves (Camellia sinensis). This study aims to determine the chemopreventive agent of tangeretin and kaempferol in silico.  In silico test was performed molecular docking by using Vina Autodock Software by deprecating tangeretin and kaempferol compounds against target protein Bcl-xL. Tangeretin and kaempferol have an affinity to the protein with score -5,8 kkal/mol and -6,4 kkal/mol, respectively. Tangeretin has a high potency in inhibiting activity against Bcl-xL protein, while kaempferol has less potency in inhibition of Bcl-xL protein. 
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分子对接橘皮素和山奈酚化合物抗凋亡Bcl-xL的实验研究
可以开发为化学预防剂的植物是橘皮(Citrus reticulata)和茶叶(Camellia sinensis)。本研究旨在确定橘子素和山奈酚在硅中的化学预防剂。利用Vina Autodock软件,通过拮抗橘皮素和山奈酚化合物对靶蛋白Bcl-xL进行分子对接。橘皮素和山奈酚对该蛋白的亲和力分别为-5,8 kkal/mol和-6,4 kkal/mol。橘皮素对Bcl-xL蛋白的抑制作用较强,山奈酚对Bcl-xL蛋白的抑制作用较弱。
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