Secondary metabolites of Cynodon dactylon as an antagonist to angiotensin II type1 receptor: Novel in silico drug targeting approach for diabetic retinopathy.

ABSTRACT:

Objectives

To study the ability of the secondary metabolites of Cynodon dactylon to serve as an antagonist to angiotensin II type 1 receptor (AT(1)); activation of this receptor plays a vital role in diabetic retinopathy (DR).

Materials and methods

In silico methods are mainly harnessed to reduce time, cost and risk associated with drug discovery. Twenty-four compounds were identified as the secondary metabolites of hydroalcoholic extract of C. dactylon using the GCMS technique. These were considered as the ligands or inhibitors that would serve as an antagonist to the AT(1). The ACD/Chemsketch tool was used to generate 3D structures of the ligands. A molecular file format converter tool was used to convert the generated data to the PDB format (Protein Data Bank) and was use

SUBMITTER: Jananie RK 

PROVIDER: S-EPMC3284031 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature