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Identification of novel therapeutic candidates in Cryptosporidium parvum: an in silico approach

Published online by Cambridge University Press:  25 April 2018

Chinmaya Panda  and
Rajani Kanta Mahapatra Open the ORCID record for Rajani Kanta Mahapatra [Opens in a new window]
Chinmaya Panda
Affiliation:
Department of Computer Science and Engineering, National Institute of Technology Patna, Patna-800005, India
Rajani Kanta Mahapatra*
Affiliation:
School of Biotechnology, KIIT University, Bhubaneswar-751024, Odisha, India
*
Author for correspondence: Rajani Kanta Mahapatra, E-mail: [email protected]
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Abstract

Unavailability of vaccines and effective drugs are primarily responsible for the growing menace of cryptosporidiosis. This study has incorporated a bioinformatics-based screening approach to explore potential vaccine candidates and novel drug targets in Cryptosporidium parvum proteome. A systematic strategy was defined for comparative genomics, orthology with related Cryptosporidium species, prioritization parameters and MHC class I and II binding promiscuity. The approach reported cytoplasmic protein cgd7_1830, a signal peptide protein, as a novel drug target. SWISS-MODEL online server was used to generate the 3D model of the protein and was validated by PROCHECK. The model has been subjected to in silico docking study with screened potent lead compounds from the ZINC database, PubChem and ChEMBL database using Flare software package of Cresset®. Furthermore, the approach reported protein cgd3_1400, as a vaccine candidate. The predicted B- and T-cell epitopes on the proposed vaccine candidate with highest scores were also subjected to docking study with MHC class I and II alleles using ClusPro web server. Results from this study could facilitate selection of proteins which could serve as drug targets and vaccine candidates to efficiently tackle the growing threat of cryptosporidiosis.

Keywords

Cryptosporidium parvumDrug targetsHomology modelingMolecular DockingVaccine candidate
Type
Research Article
Information
Parasitology , Volume 145 , Issue 14 , December 2018 , pp. 1907 - 1916
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Copyright
Copyright © Cambridge University Press 2018 

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