Pathway based therapeutic targets identification and development of an interactive database CampyNIBase of <i>Campylobacter jejuni</i> RM1221 through non-redundant protein dataset

<div><p>The bacterial species <i>Campylobacter jejuni RM1221</i> (<i>CjR</i>) is the primary cause of campylobacteriosis which poses a global threat for human health. Over the years the efficacy of antibiotic treatment is becoming more fruitless due to the development of multiple drug resistant strains. Therefore, identification of new drug targets is a valuable tool for the development of new treatments for affected patients and can be obtained by targeting essential protein(s) of <i>CjR</i>. We conducted this <i>in silico</i> study in order to identify therapeutic targets by subtractive <i>CjR</i> proteome analysis. The most important proteins of the <i>CjR</i> proteome, which includes chokepoint enzymes, plasmid, virulence and antibiotic resistant proteins were annotated and subjected to subtractive analyses to filter out the <i>CjR</i> essential proteins from duplicate or human homologous proteins. Through the subtractive and characterization analysis we have identified 38 eligible therapeutic targets including 1 potential vaccine target. Also, 12 potential targets were found in interactive network, 5 targets to be dealt with FDA approved drugs and one pathway as potential pathway based drug target. In addition, a comprehensive database ‘CampyNIBase’ has also been developed. Besides the results of this study, the database is enriched with other information such as 3D models of the identified targets, experimental structures and Expressed Sequence Tag (EST) sequences. This study, including the database might be exploited for future research and the identification of effective therapeutics against campylobacteriosis. URL: (<a href="http://nib.portal.gov.bd/site/page/4516e965-8935-4129-8c3f-df95e754c562#Banner" target="_blank">http://nib.portal.gov.bd/site/page/4516e965-8935-4129-8c3f-df95e754c562#Banner</a>).</p></div

Characteristic features of pathway based drug targets.

<p>Characteristic features of pathway based drug targets.</p

List of targets through identification channel.

<p>List of targets through identification channel.</p

The snapshot of the ‘CampyNIBase’ database.

<p>(a) Homepage tab: summary of <i>campylobacter jejuni</i> RM1221. (b) EST tab: EST related information. (c) Essential proteins tab: essential proteins of <i>campylobacter jejuni</i> RM1221. (d) Therapeutic targets tab: identified targets and prioritization. (e) Information of built and experimental 3D structure. (f) Model verification.</p

Architecture of ‘CampyNIBase’ database.

<p>The contents of developed database were categorized with different types of important relevant information.</p

Complete flowchart of whole subtractive analysis.

<p>The workflow is represented as flowchart showing subtractive analysis of the proteins in each step.</p

Outline of subtractive analysis and list of proteins.

<p>The enlisted proteins were prioritized (different symbol) from different phase of subtractive channel of analysis.</p

Image_4_An Immunopharmacoinformatics Approach in Development of Vaccine and Drug Candidates for West Nile Virus.PDF

<p>An outbreak of West Nile Virus (WNV) like the recent Ebola can be more epidemic and fatal to public health throughout the world. WNV possesses utmost threat as no vaccine or drug is currently available for its treatment except mosquito control. The current study applied the combined approach of immunoinformatics and pharmacoinformatics to design potential epitope-based vaccines and drug candidates against WNV. By analyzing the whole proteome of 2994 proteins, the WNV envelope glycoprotein was selected as a therapeutic target based on its highest antigenicity. After proper assessment “KSFLVHREW” and “ITPSAPSYT” were found to be the most potential T and B-cell epitopes, respectively. Besides, we have designed and validated four novel drugs from a known WNV inhibitor, AP30451 by adopting computational approaches. Toxicity assessment and drug score confirmed the effectiveness of these drug candidates. This in silico research might greatly facilitate the wet lab experiments to develop vaccine and drug against WNV.</p