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

被引:37
|
作者
Munawaroh, Heli Siti Halimatul [1 ]
Gumilar, Gun Gun [1 ]
Nurjanah, Fina [1 ]
Yuliani, Galuh [1 ]
Aisyah, Siti [1 ]
Kurnia, Dewi [2 ]
Wulandari, Asri Peni [3 ]
Kurniawan, Isman [4 ]
Ningrum, Andriati [5 ]
Koyande, Apurav Krishna [6 ]
Show, Pau-Loke [6 ]
机构
[1] Univ Pendidikan Indonesia, Fac Math & Sci Educ, Dept Chem Educ, Chem Study Program, Jl Dr Setiabudhi 229, Bandung 40154, Indonesia
[2] Univ Bhakti Kencana, Sch Pharm, Jl Soekarno Hatta 754, Bandung 40614, Indonesia
[3] Padjadjaran State Univ, Fac Math & Sci, Dept Biol, Jl Raya Bandung Sumedang Km 21, Sumedang 45363, Indonesia
[4] Telkom Univ, Sch Comp, Jl Terusan Buah Batu 01, Bandung 40257, Indonesia
[5] Gadjah Mada Univ, Fac Agr Technol, Dept Food Sci & Agr Prod Technol, Yogyakarta 55281, Indonesia
[6] Univ Nottingham Malaysia, Fac Sci & Engn, Dept Chem & Environm Engn, Jalan Broga, Semenyih 43500, Selangor Darul, Malaysia
关键词
Antidiabetic inhibitor; Bioactivity; Molecular docking; Phycocyanin; Spirulina platensis; ALPHA-GLUCOSIDASE INHIBITORS; SPIRULINA-PLATENSIS; ANGSTROM RESOLUTION; C-PHYCOCYANIN; PROTEIN; FERMENTATION; STABILITY; ACARBOSE; OPTIMIZATION; TEMPERATURE;
D O I
10.1016/j.bej.2020.107666
中图分类号
Q81 [生物工程学(生物技术)]; Q93 [微生物学];
学科分类号
071005 ; 0836 ; 090102 ; 100705 ;
摘要
Phycocyanin (PC) is the main pigment found in Spirulina platensis and has the potential effect to treat effectively type-2 diabetes mellitus by inhibiting alpha-amylase and alpha-glucosidase. However, studies on molecular interactions between PC with alpha-amylase and alpha-glucosidase enzymes are still rare. In this study, an in-silico study was carried out to predict the molecular interactions between PC with alpha-amylase and alpha-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.
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页数:9
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