MOLECULAR DOCKING STUDIES OF ISOLATED FLAVONOIDS COMPOUNDS FROM AMARANTHUS TRISTIS LINN. AS ALPHA-AMYLASE AND ALPHA-GLUCOSIDASE ACTIVATORS

Sundar Rajan T; Vijey Aanandhi M

doi:10.22159/ajpcr.2018.v11s4.31676

Authors

Sundar Rajan T Department of Pharmaceutical Chemistry and Analysis, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Chennai, Tamil Nadu, India.
Vijey Aanandhi M Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Chennai, Tamil Nadu, India

DOI:

https://doi.org/10.22159/ajpcr.2018.v11s4.31676

Keywords:

Diabetes, Alpha-amylase, Alpha-glucosidase, Flavonones, Amaranthus tristis Linn docking, Rutin

Abstract

Aim: Aim of this work on in silico approach to used to access the use of flavonids compounds of nutritionally enriched plant Amaranthus tristis Linn.

Methods: Bioflavonoids of rutin isolated from A. tristis Linn. and active agents receptor such as alpha-amylase (1SMD) and alpha-glucosidase (3wy1) activators. Three-dimensional structure of receptors was obtained from protein data bank database and biocomponents such as isoflavones and flavonones of A. tristis were downloaded from database like USDA. Docking studies of insulin receptor with A. tristis biocomponents for isoflavones and flavonones were performed using AutoDock - 1.5.6 software.

Results: Compounds from A. tristis Linn. showed better binding features with the alpha-amylase and alpha-glycosidase. Thus, these compounds can be effectively used as drugs for treating diabetes which is predicted on the basis of docking scores.

Conclusion: The insights gained in this work can be further used in experimental studies for designing antidiabetic drugs with novel targets and mode of action.

Downloads

Download data is not yet available.

References

Kameswararao B, Kesavulu MM, Apparao C. Evaluation of antidiabetic effect of Momordica cymbalaria fruit in alloxan-diabetic rats. Fitoterapia 2003;74:7-13.

Mukherjee PK, Maiti K, Mukherjee K, Houghton PJ. Leads from Indian medicinal plants with hypoglycemic potentials. J Ethnopharm 2006;106:1-28.

Murugan SB, Reshma A, Deepika R, Balamurugan S, Sathishkumar R. Antioxidant capacities of Amaranthus tristis and Alternanthera sessilis: A comparative study. J Med Plants Res 2013;7:2230-5.

Sundarrajan T, Vjeyaanandhi V. Phytochemical evaluation and in vitro antidiabetic activity of ethanolic extract of Amaranthus tristis Linn. J Pharm Sci Res 2017;9:1586-7.

Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, et al. AutoDock4 and autoDockTools4: Automated docking with selective receptor flexibility. J Comput Chem 2009;30:2785-91.

Ganugapati J, Baldwa A, Lalani S. Molecular docking studies of banana flower flavonoids as insulin receptor tyrosine kinase activators as a cure for diabetes mellitus. Bioinformation 2012;8:216-20.

Sundarrajan T, Aanandhi VM. Hypolipidemic activity of Amaranthus tristis Linn in triton WR-1339 induced hyperlipidemic rats. Res J Pharm Technol 2017;10:171-81.

Jaiswal JV, Wadegaonkar PA, Hajare SW. The bioflavonoid galangin suppresses the growth of Ehrlich ascites carcinoma in Swiss albino mice: A molecular insight. Appl Biochem Biotechnol 2012;167:1325-39.

Peng X, Zhang G, Liao Y, Gong D. Inhibitory kinetics and mechanism of kaempferol on Î±-glucosidase. Food Chem 2016;

:207-15.

Rajan AP, Jayachandra S, Lulu S, Manju SL. In silico screening and molecular docking to identify a novel inhibitor for aldose reductase. J Pharm Sci Res 2017;9:1169-72.

Princy KR, Sripathi R, Dharani J, Ravi S. Molecular docking studies of alkaloids from Desmodium triflorum against bacterial proteins. J

Pharm Sci Res 2017;9:1882-88.