Madiwalar Vaishnavi Shankar, Dwivedi Prarambh S R, Patil Ashwini, Gaonkar Soham M N, Kumbhar Vrunda J, Khanal Pukar, Patil B M
Department of Pharmacology and Toxicology, KLE College of Pharmacy Belagavai, KLE Academy of Higher Education and Research (KAHER), Belagavi, 590010 India.
J Diabetes Metab Disord. 2022 Feb 15;21(1):429-438. doi: 10.1007/s40200-022-00989-2. eCollection 2022 Jun.
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 computational approach followed by experimental evaluation of hydroalcoholic extract of L. bark in yeast cells.
The assay for glucose uptake was performed in the baker yeast whereas 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.
A total of 17 phytoconstituents from 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 and . Similarly, the extract showed the highest glucose uptake efficacy in yeast cells at 500 µg/mL.
Herein the present study reflected the probable activity of the phytoconstituents from in promoting the glucose uptake the and approaches.
L. 传统上用于治疗糖尿病；也用于各种草药配方中，并被指明具有胰岛素增敏作用。因此，本研究尝试通过计算方法确定可能促进葡萄糖摄取的先导化合物，随后对L. 树皮的水醇提取物在酵母细胞中进行实验评估。
在面包酵母中进行葡萄糖摄取测定，而该研究涉及从公开来源检索植物成分，并预测糖尿病的可能靶点，随后进行类药性质评分、可能的副作用和药物代谢动力学特征分析。进行同源建模以构建目标蛋白葡萄糖转运蛋白-2。此外，使用AutoDock 4.2预测每个配体与葡萄糖转运蛋白的结合亲和力。
共鉴定出17种来自L. 的具有抗糖尿病作用的植物成分。其中，4-甲氧基苯甲酸的类药性质评分最高，乙酸羽扇豆醇酯与葡萄糖转运蛋白的最大结合亲和力为-8.02 kcal/mol，有9个π相互作用。同样，该提取物在500 μg/mL时在酵母细胞中显示出最高的葡萄糖摄取功效。
本研究通过计算和实验方法反映了L. 的植物成分在促进葡萄糖摄取方面的可能活性。
