微藻提取的藻蓝蛋白作为抗糖尿病候选药物的体外分子对接分析,Biochemical Engineering Journal

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微藻提取的藻蓝蛋白作为抗糖尿病候选药物的体外分子对接分析
Biochemical Engineering Journal ( IF 3.7 ) Pub Date : 2020-09-01 , DOI: 10.1016/j.bej.2020.107666
Heli Siti Halimatul Munawaroh , Gun Gun Gumilar , Fina Nurjanah , Galuh Yuliani , Siti Aisyah , Dewi Kurnia , Asri Peni Wulandari , Isman Kurniawan , Andriati Ningrum , Apurav Krishna Koyande , Pau-Loke Show

摘要藻蓝蛋白（PC）是螺旋藻中的主要色素，通过抑制α-淀粉酶和α-葡萄糖苷酶具有有效治疗2型糖尿病的潜在作用。然而，关于PC与α-淀粉酶和α-葡萄糖苷酶之间分子相互作用的研究仍然很少见。在本研究中，进行了计算机模拟研究以预测 PC 与 α-淀粉酶和 α-葡萄糖苷酶之间的分子相互作用。分子对接模拟表明，PC 通过与活性位点结合并破坏底物-酶结合来抑制酶。在这两种酶中，PC 似乎在建立活性位点腔内的相互作用方面起着至关重要的作用。该结果表明 PC 是抗糖尿病天然治疗剂的潜在候选者。体外抑制活性试验表明，PC 对人唾液淀粉酶的抑制率平均为 51.13%。一项储存稳定性测试表明，当 PC 用作功能性化合物时，将 PC 保持在固态、无光和低温可以保持其生物活性。综上所述，目前的这一结果将有助于阐明 PC 与碳水化合物代谢酶之间相互作用的分子机制，并有助于充分利用 PC 作为抗糖尿病药物或治疗剂。进一步确认糖尿病受试者对于提供 PC 作为有效抗糖尿病药物的潜在治疗方法是必不可少的，并且副作用较少。当用作功能化合物时，没有光和低温可以保持生物活性。综上所述，目前的这一结果将有助于阐明 PC 与碳水化合物代谢酶之间相互作用的分子机制，并有助于充分利用 PC 作为抗糖尿病药物或治疗剂。进一步确认糖尿病受试者对于提供 PC 作为有效抗糖尿病药物的潜在治疗方法是必不可少的，并且副作用较少。当用作功能化合物时，没有光和低温可以保持生物活性。综上所述，目前的这一结果将有助于阐明 PC 与碳水化合物代谢酶之间相互作用的分子机制，并有助于充分利用 PC 作为抗糖尿病药物或治疗剂。进一步确认糖尿病受试者对于提供 PC 作为有效抗糖尿病药物的潜在治疗方法是必不可少的，并且副作用较少。

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In-vitro molecular docking analysis of microalgae extracted phycocyanin as an anti-diabetic candidate

Abstract Phycocyanin (PC) is the main pigment found in Spirulina platensis and has the potential effect to treat effectively type-2 diabetes mellitus by inhibiting α-amylase and α-glucosidase. However, studies on molecular interactions between PC with α-amylase and α-glucosidase enzymes are still rare. In this study, an in-silico study was carried out to predict the molecular interactions between PC with α-amylase and α-glucosidase enzymes. Molecular docking simulations indicated that PC inhibits the enzymes by binding to the active site and causing a disruption on substrate-enzyme binding. In both enzymes, PC seem to play a crucial role in establishing the interaction within the cavity of active sites. This result suggested PC as a potential candidate for antidiabetic natural therapeutic agents. An in-vitro inhibition activity test showed that PC inhibits human salivary amylase at average of 51.13 %. A storage stability tests showed that keeping PC in solid-state, absence of lights and low temperature can preserve the bioactivity when used as functional compounds. Taken together, this current result would be useful in elucidating the molecular mechanisms of the interaction between PC and carbohydrate-metabolisms enzymes and contribute to making full use of PC as antidiabetic drug or therapeutic agent. Further confirm on diabetic subjects is indispensable to provide the potential therapeutic of PC as an effective anti-diabetic with less frequent of side effect.

更新日期：2020-09-01

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