关键词: Diabetes mellitus Ficus benghalensis Glucose transporters (GLUTs) Glucose uptake Molecular modeling (in-silico studies) Saccharomyces cerevisiae

来  源:   DOI:10.1007/s40200-022-00989-2   PDF(Pubmed)

Abstract:
UNASSIGNED: Ficus benghalensis L. is traditionally used to manage diabetes; also used in various herbal formulations, and is indicated as an insulin sensitizer. Hence, present work attempted in identifying the probable lead hits to promote glucose uptake via computational approach followed by experimental evaluation of hydroalcoholic extract of Ficus benghalensis L. bark in yeast cells.
UNASSIGNED: The in vitro assay for glucose uptake was performed in the baker yeast whereas in-silico study involved retrieving the phytoconstituents from open sources, and predicting for probable targets of diabetes followed by drug-likeness score, probable side effects, and ADMET profile. Homology modeling was performed to construct the target protein glucose transporter-2. In addition, the binding affinity of each ligand with glucose transporter was predicted using AutoDock 4.2.
UNASSIGNED: A total of 17 phytoconstituents from F. benghalensis were identified to possess the anti-diabetic effects. Among them, 4-methoxybenzoic acid scored the highest drug-likeness score and lupeol acetate had the maximum binding affinity of -8.02 kcal/mol with 9 pi-interactions via Tyr324, Phe323, Ile319, Ile200, Ile28, Phe24, and Ala451. Similarly, the extract showed the highest glucose uptake efficacy in yeast cells at 500 µg/mL.
UNASSIGNED: Herein the present study reflected the probable activity of the phytoconstituents from F. benghalensis in promoting the glucose uptake via the in silico and in vitro approaches.
摘要:
未经授权:FicusbenghalensisL.传统上用于治疗糖尿病;也用于各种草药配方,并表示为胰岛素增敏剂。因此,目前的工作试图通过计算方法确定可能的铅命中,以促进葡萄糖的吸收,然后对酵母细胞中FicusbenghalensisL.bark的水醇提取物进行实验评估。
UNASSIGNED:在面包酵母中进行了葡萄糖摄取的体外测定,而计算机研究涉及从开放来源中检索植物成分,并预测糖尿病的可能目标,然后是药物相似度评分,可能的副作用,和ADMET配置文件。进行同源性建模以构建靶蛋白葡萄糖转运蛋白-2。此外,使用AutoDock4.2预测每种配体与葡萄糖转运蛋白的结合亲和力。
UNASSIGNED:鉴定出来自F.benghalensis的总共17种植物成分具有抗糖尿病作用。其中,4-甲氧基苯甲酸得分最高,乙酸羽扇豆醇的最大结合亲和力为-8.02kcal/mol,并通过Tyr324,Phe323,Ile319,Ile200,Ile28,Phe24和Ala451进行9pi相互作用。同样,该提取物在500µg/mL的酵母细胞中显示出最高的葡萄糖摄取功效.
UNASSIGNED:在此,本研究反映了F.benghalensis的植物成分通过计算机和体外方法促进葡萄糖吸收的可能活性。
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