Adefovir dipivoxil - A possible regimen for the treatment of dengue virus (DENV) infection

被引:3
作者
Sinha, Sukesh Narayan [1 ]
Kar, Paritosh K. [1 ,4 ]
Perugu, Shyam [2 ]
RamaKrishna, U. V. [1 ]
Thakur, C. P. [3 ]
机构
[1] Natl Inst Nutr, Food & Drug Toxicol Res Ctr, Hyderabad, Telangana, India
[2] Natl Inst Nutr, Biomed Informat Ctr, Hyderabad, Telangana, India
[3] Kala Azar Res Ctr, Balaji Utthan Sansthan, Patna, Bihar, India
[4] Fdn Trop Dis & Hlth Res Dev, Mission Charitable Hlth Care Unit, Paschim Medinipur 721124, W Bengal, India
关键词
Dengue serotype; Seropositive; Adefovir dipivoxil; Geo-coding; I-Tesser; Vaccine target; Molecular docking; In silico analysis;
D O I
10.1016/j.chemolab.2016.04.006
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Background: Dengue is one of the most important arthropod-borne viral diseases of public health importance. Till now, any potential vaccine or suitable regimen of effective antiviral activities has not been reported in laboratories. So, a bioinformatic simulation of an antiviral compound was tried in the back-drop of randomly collected dengue viral serosamples in their active virulent stage in patients from endemic areas of widely distinct geocoded geographical matrices to explore for a plausible 3-D interaction with Adefovir dipivoxil, an antiviral regimen, to extrapolate activities for its relative efficacies in designated endemic foci for its further extrapolation in other endemic areas in India. Methods: Blood samples from the dengue infested patients, supposed to contain dengue serotypel, serotype 2, serotype 3 and serotype 4, have been collected from the urban and peri-urban OPD Clinics in hospitals from metro cities, Karnataka, India between the end of October 2013 and the end of February 2014. After their collection, the samples were sent to the laboratory in a cold-chain system, later on processed for its extraction of the susceptible A sequences from samples and identified their subtypes using reverse transcription polymeric chain reaction (RT-PCR). Further it has been identified motifs in serotype(s). Immediately thereafter its current epitopes have been reviewed, and a comprehensive summary of epitope prediction was performed and modelled the three serotypes using I-Tesser as per method already described. Results: Molecular docking studies revealed that serotype-2 has binding affinities for a strong interaction. The Adefovir dipivoxil, an anti-viral regimen is strongly bound with the receptors of the serotypes-1 and 2 showing positively its confirmation for its use as an anti-viral regimen in infested communities in dengue virus (DENV) endemic areas. This compound may be used for the treatment of infested dengue viruses. Since, dengue is a worldwide problem particularly the developing countries, most notable are small-aged children; till date no suitable drug(s) available for its treatment. On the basis of results, the present anti-viral compound, Adefovir dipivoxil may be used as a regimen for therapeutic purposes. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:120 / 127
页数:8
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