基于结构的虚拟配体筛选鉴定山梨醇作为潜在的葡萄糖激酶激活剂。
Identification of mangiferin as a potential Glucokinase activator by structure-based virtual ligand screening.
机构信息
Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, 430030, China.
Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Key Laboratory of Structure-Based Drug Design &Discovery, Ministry of Education, Shenyang, Pharmaceutical University, Shenyang, 110016, China.
出版信息
Sci Rep. 2017 Mar 20;7:44681. doi: 10.1038/srep44681.
The natural product mangiferin (compound 7) has been identified as a potential glucokinase activator by structure-based virtual ligand screening. It was proved by enzyme activation experiment and cell-based assays in vitro, with potency in micromolar range. Meanwhile, this compound showed good antihyperglycemic activity in db/db mice without obvious side effects such as excessive hypoglycaemia.
天然产物芒果苷（化合物 7）已被鉴定为通过基于结构的虚拟配体筛选的潜在葡萄糖激酶激活剂。通过体外酶激活实验和基于细胞的测定得到了证实，其效力在微摩尔范围内。同时，该化合物在 db/db 小鼠中表现出良好的降血糖活性，没有明显的低血糖等副作用。
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