Tasiamide-B一种新的治疗皮肤癌的蓝藻化合物

Subramaniyan Vijayakumar, Muniaraj Menakha
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引用次数: 2

摘要

皮肤癌是由热休克蛋白90受体蛋白分子引起的。它是用商业药物治疗的,如卡巴他赛和代克隆碱。本研究的目的是预测、筛选和鉴定海洋蓝藻菌群中潜在的高效抗皮肤癌化合物。为了筛选抗皮肤癌蛋白的生物活性化合物,采用HSP90, Glide模块(薛定谔套件)。在筛选的31种生物活性化合物中,滑行对接得分最高的是tasiamide-B,得分为-9.144。通过分子对接将该他西亚胺- b与市售药物卡巴他他赛、代克隆碱等进行比较,发现他西亚胺- b与致皮肤癌靶蛋白HSP90有较强的相互作用,更有效。该研究结果支持了使用Glide和Hex程序的硅分子对接研究在预测皮肤癌治疗药物方面非常有用的事实。在本研究中,tasiamide-B被预测为从Symploca sp.中提取的活性最好的蓝藻化合物。
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Tasiamide-B a new cyanobacterial compound for treating skin cancer

Skin cancer is caused by HSP90 receptor protein molecule. It is treated with commercial drugs, like cabazitaxel and dyclonine. The aim of the present study was to predict screen and identify the potential high efficient anti-skin cancer compounds from the marine flora of cyanobacteria. To screen the bioactive compounds against skin cancer causing protein, HSP90, Glide module (Schrodinger suite) was applied. Among the 31 bioactive compounds screened, best Glide docking score of –9.144 was found in tasiamide-B. When this tasiamide-B was compared with the commercially available drugs, like cabazitaxel and dyclonine through molecular docking, tasiamide-B was found to be more effective by interacted strongly with skin cancer causing target protein, HSP90. The results of the study support the fact that in silico molecular docking studies using Glide and Hex programs are very useful in predicting skin cancer treating drug. In this study, tasiamide-B was predicted as the best active cyanobacterial compound derived from Symploca sp.

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