©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.
OJBTM
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
ABSTRACT
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
FULL-TEXT(SUBSCRIPTION) OR PURCHASE ARTICLE