Original Research Article I Volume 7 I Issue 4 I 2019

Molecular docking of flavonoids from Rumex vesicarius with FOXO1 target related to Diabetes mellitus

Rakesh Davella and Estari Mamidala

Biolife; 2019, 7(4), pp 7-13

DOI:https://doi.org/10.5281/zenodo.7404151

Abstract:

Rumex vesicarius flavonoids were taken as ligands for molecular docking. The molecular target, FOXO1 whose crystallographic structures is available on the PDB database as 3CO7, 3CO6 and 3CO7 were used for the docking analysis using the Autodock software. The objective of this study is the evaluation of Rumex vesicarius flavonoids for anti-T2DM activity. The docking studies of the ligands of Rumex vesicarius flavonoids with FOXO1 target showed that Rumex vesicarius flavonoids are good molecules which dock well with FOXO1 target related to diabetes mellitus.

Keywords:

Docking, FOXO1, Rumex vesicarius, Diabetes mellitus.

References:

  1. International Diabetes Federation (IDF) (2015) What is Diabetes. In: Cavan D, da Rocha Fernandes J, Makaroff L, Ogurtsova K, Webber S (eds) IDF diabetes atlas, 7th edn. International Diabetes  ederation, Brussels.
  2. Ford ES, Giles WH, Dietz WH (2002) Prevalence of the metabolic syndrome among US adults: findings from the third National Health and Nutrition Examination Survey. JAMA 287(3):356–359.
  3. Liu Q, Chen L, Hu L, Shen X. Small molecules from natural sources, targeting signaling pathways in  diabetes. Biochim Biophys Acta. 2010; 1799: 854-65
  4. Martinez SC, Cras-Méneur C, Bernal-Mizrachi E, Permutt MA. Glucose regulates Foxo1 through insulin receptor signaling in the pancreatic islet beta-cell. Diabetes. 2006;55:1581–1591. doi: 10.2337/db05-0678.
  5. Gross DN, van den Heuvel AP, Birnbaum MJ. The role of FoxO in the regulation of metabolism. Oncogene. 2008;27:2320–2336. doi: 10.1038/onc.2008.25.
  6. Saleh NAM, El-Hadidi MN, Arafa RFM. 1993. Flavonoids and anthraquinones of some Rumex species (Polygonaceae). Biochemical Systematics and Ecology 21(2):301–3.
  7. Khare CP. 2007. Indian medicinal plants: an illustrated dictionary. Springer Science + Business  Media, LLC. p 564.
  8. Swapna Gurrapu and Estari Mamidala. In vitro HIV-Reverse Transcriptase Inhibition of
    Andrographolide Isolatedfrom Andrographis Paniculata. European Journal of Biomedical
    and Pharmaceutical Sciences. 2017. Volume 4, Issue 12. 516-522.
  9. Anonymous: The Wealth of India, Raw  Materials, p. 93. National Institute of Science Communication and Information Resources, CSIR, New Delhi 2003.
  10. Al-Rumaih MM, Al-Saad FA,Warsy AS. 2003. Floral initiation and development in R. vesicarus. J King Soud Univ 15(2):123–34
  11. 25.Lipinski CA, Lombardo F, Dominy BW, Feeney PJ(2001) Experimental and computational approaches toestimate solubility and permeability in drug discoveryand development settings. Adv. Drug Deliv Rev 46: 3-26.
  12. Trott O and Olson A J 2010 AutoDockVina: improving the speed and accuracy of  docking with a new scoring function, efficient optimization and multithreading J. Comput. Chem. 31 455– 61.

 

Article Dates:

Received: 2 October 2029; Accepted: 18 November 2019; Published: 27 November 2019

How To Cite:

Rakesh Davella, & Estari Mamidala. (2022). Molecular docking of flavonoids from Rumex vesicariuswith FOXO1 target related to Diabetes mellitus. Biolife, 7(4), 7–13. https://doi.org/10.5281/zenodo.7404151

Download Full Paper: PDF

Logo


Logo