茶树活性化合物作为雄激素受体抑制的去势抵抗性前列腺癌(CRPC)替代疗法的潜力:计算机研究

Mega Memory Rahasa Putra, Kurnia Penta Seputra
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引用次数: 0

摘要

前列腺癌是全球男性死亡率和发病率增加的主要原因,可合并去势抵抗性前列腺癌(CRPC)。通过抑制雄激素受体(AR)的药物治疗可以抑制前列腺癌的进展。茶叶(Camellia sinensis)被认为可以抑制前列腺癌的进展,但其机制尚不清楚。因此,需要以AR为靶蛋白,通过硅片研究其作用机制。方法:以醋酸阿比特龙为对照,采用对接服务器法评价茶叶活性化合物对雄激素受体的抑制作用。茶叶的活性成分为儿茶素、表儿茶素、没食子儿茶素没食子酸酯、没食子儿茶素、没食子儿茶素没食子酸酯、没食子儿茶素没食子酸酯和没食子儿茶素。结果:与醋酸阿比特龙相比,表儿茶素、没食子儿茶素和没食子儿茶素在AR上具有较低的自由结合能(ΔG)和较高的氨基酸残基相似性。但与醋酸阿比特龙相比,其表面相互作用较低。结论:表儿茶素、没食子儿茶素和没食子儿茶素有望作为伴有AR抑制的CRPC的替代疗法。
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The Potential of Cammelia sinensis (Tea Leaves) Active Compound as Alternative Therapy on castrate-resistant prostate cancer (CRPC) with Androgen Receptor Inhibition: In Silico Study
Introduction: Prostate cancer is a leading global cause of increased mortality and morbidity in men which can be complicated by castrate-resistant prostate cancer (CRPC). Pharmacological therapy by inhibiting the androgen receptor (AR) can inhibit prostate cancer progression. Tea leaves (Camellia sinensis) are believed to inhibit the prostate cancer progression but the mechanism is still unknown. Therefore, research on the mechanism by in silico study is needed with the AR as target protein.Methods: The effectivity of tea leaves’ active compound to inhibit androgen receptor was evaluated by docking server with abiraterone acetate as a control. The tea leaves' active compounds consist of catechin, epicatechin, epigallocatechin gallate, epigallocatechin, gallate epicatechin, gallocatechin gallate, and gallocatechinResults: The result showed that epicatechin, epigallocatechin, and gallocatechin have lower free binding energy (ΔG) and high amino acid residue similarity on AR compared with abiraterone acetate. But, it has lower surface interaction compared with abiraterone acetate. Conclusion: Epicatechin, epigallocatechin, and gallocatechin are predicted to have potential as alternative therapy in CRPC with AR Inhibition.
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