1996-2019. All Rights Reserved. Online Journal of Bioinformatics . You may not store these pages in any form except for your own personal use. All other usage or distribution is illegal under international copyright treaties. Permission to use any of these pages in any other way besides the  before mentioned must be gained in writing from the publisher. This article is exclusively copyrighted in its entirety to OJB publications. This article may be copied once but may not be, reproduced or  re-transmitted without the express permission of the editors. This journal satisfies the refereeing requirements (DEST) for the Higher Education Research Data Collection (Australia). Linking: To link to this page or any pages linking to this page you must link directly to this page only here rather than put up your own page.


 Online Journal of Bioinformatics  

  Volume 16 (2): 109-120, 2015.

In silico model design for GPI12 anchored protein.


Rajan Bhagyasri G1, Chandrasekhar KB2, Muralidhara Rao D3


1,2Department of Chemistry, Jawaharlal Nehru Technological University, Anantapur 3Department of Biotechnolgy, Sri krishnadevaraya University, Anantapur, India




Bhagyasri RG, Chandrasekhar KB, Muralidhara RD., In silico model design for GPI12 anchored protein, Onl J Bioinform., 16 (2): 109-120, 2015. Malaria, a mosquito-borne infectious disease of humans, causes symptoms of fever, fatigue, vomiting and headaches. Plasmodium vivax, a protozoan parasite, is a widely distributed cause of recurring malaria. In this work, we have identified inhibitors for Malaria using the three-dimensional structure of GPI12 anchored protein. In order to understand the mechanisms, the interactions between the drug derivatives and GPI12 protein, a three-dimensional (3D) model of the GPI12 was generated based on the crystal structure of the Template (2YMO) by using Modeller. After BLAST search, the sequence that showed maximum identity with GPI12 was aligned and used as a reference template to build a 3D model for GPI12. The final model obtained was assessed by ERRAT and Ramachandran plot for model reliability. The active site of GPI12 was identified using CASTp server to discover potential inhibitors. New drug derivatives of Amphotericin B were designed using Chemsketch software docked to GPI12 active residues to evaluate inhibition.


KEYWORDS: Plasmodium vivax, Amphotericin B, Drug Designing, Docking, GPI12