Inhibition of Aldose Activity by Essential Phytochemicals of Cymbopogon citratus (DC.) Stapf

International Journal of Biometric and Bioinformatics

Vyshali.P¹  Rajeshwari D Sanakal¹  K.J. Thara Saraswathi¹  B. B. Kaliwal¹ 

关键词: Aldose Reductase;    Molecular Docking;    Citral;    Geraniol;    Myrcene;    Cymbopogon citratus;   

DOI  :  

学科分类：计算机科学（综合）

来源: Computer Science Journals

【 摘 要 】

The ambiguity of whether aldose reductase, an enzyme of polyol pathway, is linked to diabetes and its complication has been receded based on the recent studies made on the inhibition of its (Aldose reductase) activity. In our current study, we have used an in silico approach (molecular docking) to analyze the effect of essential phytochemicals obtained from Cymbopogon citratus on the aldose reductase activity. C.citratus is grown extensively in tropical countries including India for perfumery and pharmaceuticals. The essential phytochemicals of C.citratus like Myrcene, Citral, and Geraniol have been used as ligand for the molecular docking analysis with Aldose reductase as receptor. The docking analysis showed Myrcene, with binding energy of -8.76 Kcal/mol is best amongst Citral and Geraniol which are having binding energies of -7.24 Kcal/mol and -7.93 Kcal/mol respectively for inhibiting the activity of Aldose reductase.

【 授权许可】

Unknown