Journal: Drug Invention Today

Article Id: JPRS-D(DD)-00002777
Title: Docking studies for anticancer activity using anthraquinone derivatives
Category: Drug (Discovery/Development)
Section: Research Article
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    Aim: Anthraquinone, also called anthracenedione or dioxoanthracene, is an aromatic organic compound with formula C14H8O2. Several isomers are possible, each of which can be viewed as a quinone derivative. These derivatives are having fruitful results for anticancer activity, and this study was designed to get to know regarding the binding affinity and pKi value with respect to the targets. Materials and Methods: The targets are chosen from G4LDB Database, and the database consists of 28 G-Quadruplex targets and contains >800 reported G-Quadruplex ligands that are associated with 4000 related activity study records. Targeting G-quadruplex has become valid and proven approach for inhibiting telomerase enzyme. Many leading compounds that target these structures have been reported, and a few of them have entered preclinical or clinical trials. However, the selectivity of G-quadruplex stabilizing compounds has yet to be improved to discover more acceptable and potent telomerase inhibitors. Results and Discussion: With a better understanding of the structural properties of G-quadruplexes and information obtained from previously known inhibitors, it is expected that a wealth of new potent and selective G-quadruplex stabilizing telomerase inhibitors could be identified. Identification of minimum requirements of structural features and pharmacophoric groups for G-quadruplex stabilizing telomerase inhibitors was hampered due to lack of molecular modeling studies. Hence, it was planned to study regarding the binding energy and pKi as well to rationalize the structural requirements for G-quadruplex ligands based on docking study using G4LDB database. Anthraquinone derivatives have been selected from literature survey, and these ligands are docked with the 28 G-Quadruplex targets to study the binding affinity with the ligands. Conclusion: From the results, we have selected only three best targets and two anthraquinone derivatives which show equivalent pKi value with respect to the standard anthraquinone compound (2,6 diamidoAnthraquinone) with the selected three targets. This study could be used in identification and optimization of newer telomerase inhibitors.

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    Author(s) Name:

    CN Hemalatha1 , D Pavithra2 , S Mahalakshmi 1 , D Karthikeyan1 , M Sekar Babu1 , M Vijey Aanandhi 1 *

    Affiliation(s) Name:

    1 Department of Pharmaceutical Chemistry and Analysis, Vels Institute of Science, Technology and Advanced Studies (VISTAS), Chennai, Tamilnadu-600 117, India,

    2 Department of Pharmacy Practice, Vels Institute of Science, Technology and Advanced Studies (VISTAS), Chennai, Tamil Nadu-600 117, India

    *Corresponding author: Dr. M. Vijey Aanandhi, Department of Pharmaceutical Chemistry and Analysis, School of Pharmaceutical Sciences, Vels Institute of Advanced Studies and Science and Technology, Pallavaram, Chennai, Tamil Nadu - 600 117, India.

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    Author:

    CN Hemalatha1 , D Pavithra2 , S Mahalakshmi 1 , D Karthikeyan1 , M Sekar Babu1 , M Vijey Aanandhi 1 *

    Title:Docking studies for anticancer activity using anthraquinone derivatives
    Journal:Drug Invention Today
    Vol(issue):10 (October [ Special Issue 2 ])
    Year:2018
    Page No: (2902-2908)
  • Experimental Methods Keywords

    Methodology: Anticancer, Docking, G4LDB database, Telomerase enzyme
    Research Materials:Anthraquinone

Keywords

Anthraquinone Anticancer Docking G4LDB database Telomerase enzyme

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