Journal: JPR:BioMedRx:An International Journal

Article Id: JPRS-MDSM-0000241
Title: Molecular docking of secondary metabolites from Cyperus rotundus and Cyamopsis tetragonolobus against aldose reductase - A novel drug target for diabetic cataract
Category: Molecular docking of secondary metabolites
Section: Research Article
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    Diabetic cataract is one of the serious complications of diabetes mellitus, which is a major cause of blindness all over the world. Aldose reductase is the rate limiting enzyme responsible for triggering the pathogenesis of diabetic cataract. Nowadays, natural therapy is gaining more value as alternative medicine. So, it was planned to study the ability of secondary metabolites identified from Cyperus rotundus and Cyamopsis tetragonolobus to serve as antagonist to aldose reductase that may serve as new drug target. 21 compounds were identified as secondary metabolites of ethanolic extract of C. rotundus rhizome by GC-MS analysis and 34 compounds were identified from ethanol extract of C. tetragonolobus fruit. These compounds were docked with aldose reductase. Docking analysis was performed using GLIDE. We describe the docking of these identified compounds into the 3D structure of aldose reductase of human. The inhibitor binding positions and affinity were evaluated using scoring functions. The compounds 3-(2-hydroxy-3,4-dimethoxyphenyl)-7-chromanol and 3-bromo-4-(methoxymethyl)-bicyclo [4.2.0] octa-1,3,5,7-tetraene from C. tetragonolobus were identified as potential inhibitors of aldose reductase. In addition, camphoric aldehyde and longifolenaldehyde from C. rotundus are considered for its effective binding with the target protein. 1,2-cyclopentanedione and (3,8,8-Trimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenyl)methyl acetate showed more hydrogen bond interactions with effective binding to aldose reductase. Thus, it may be concluded that the identified metabolites from both the plants could serve as antagonist to aldose reductase that can be used to treat diabetic cataract.

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    Author(s) Name:

    Vijayalakshmi Krishnamoorthy2*, Seema Surendran1,3, Vadivelan Sankaran1, Vengatesa Prasanna Vasudevan1, Sarma JARP1

    Affiliation(s) Name:

    1GVK Biosciences Pvt. Ltd. Chennai, Tamil Nadu, India - 600 018
    2Department of Biochemistry, Bharathi Women’s College (Autonomous), North Chennai, Tamil Nadu, India - 600 108
    3Bharathiar University, Research and Development Centre, Coimbatore, Tamil Nadu, India - 641 046

    *Corresponding author.
    Dr. K. Vijayalakshmi
    Associate Professor
    Bharathi Women’s College (Autonomous)
    Department of Biochemistry
    North Chennai - 600 108,Tamil Nadu,India


    Received on:17-09-2012; Revised on: 19-10-2012; Accepted on:10-12-2012

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    Author:

    Vijayalakshmi Krishnamoorthy2*, Seema Surendran1,3, Vadivelan Sankaran1, Vengatesa Prasanna Vasudevan1, Sarma JARP1

    Title:Molecular docking of secondary metabolites from Cyperus rotundus and Cyamopsis tetragonolobus against aldose reductase - A novel drug target for diabetic cataract
    Journal:JPR:BioMedRx:An International Journal
    Vol(issue):1 (January )
    Year:2013
    Page No: (59-67)
  • Experimental Methods Keywords

    Methodology:aldose reductase, diabetic cataract, molecular docking
    Research Materials:Cyperus rotundus, Cyamopsis tetragonolobus

Keywords

Cyperus rotundus Cyamopsis tetragonolobus aldose reductase diabetic cataract molecular docking

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