Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus
Human life has been at the edge of catastrophe for millennia due diseases which emerge and reemerge at random. The recent outbreak of the Zika virus (ZIKV) is one such menace that shook the global public health community abruptly. Modern technologies, including computational tools as well as experim...
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| Format: | Article |
| Language: | English |
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MDPI AG
2019-10-01
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| Series: | Pharmaceuticals |
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| Online Access: | https://www.mdpi.com/1424-8247/12/4/157 |
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| author | Subhash C. Basak Subhabrata Majumdar Ashesh Nandy Proyasha Roy Tathagata Dutta Marjan Vracko Apurba K. Bhattacharjee |
| author_facet | Subhash C. Basak Subhabrata Majumdar Ashesh Nandy Proyasha Roy Tathagata Dutta Marjan Vracko Apurba K. Bhattacharjee |
| author_sort | Subhash C. Basak |
| collection | DOAJ |
| description | Human life has been at the edge of catastrophe for millennia due diseases which emerge and reemerge at random. The recent outbreak of the Zika virus (ZIKV) is one such menace that shook the global public health community abruptly. Modern technologies, including computational tools as well as experimental approaches, need to be harnessed fast and effectively in a coordinated manner in order to properly address such challenges. In this paper, based on our earlier research, we have proposed a four-pronged approach to tackle the emerging pathogens like ZIKV: (a) Epidemiological modelling of spread mechanisms of ZIKV; (b) assessment of the public health risk of newly emerging strains of the pathogens by comparing them with existing strains/pathogens using fast computational sequence comparison methods; (c) implementation of vaccine design methods in order to produce a set of probable peptide vaccine candidates for quick synthesis/production and testing in the laboratory; and (d) designing of novel therapeutic molecules and their laboratory testing as well as validation of new drugs or repurposing of drugs for use against ZIKV. For each of these stages, we provide an extensive review of the technical challenges and current state-of-the-art. Further, we outline the future areas of research and discuss how they can work together to proactively combat ZIKV or future emerging pathogens. |
| first_indexed | 2024-12-11T01:03:55Z |
| format | Article |
| id | doaj.art-92a13398fe794f4aad60d47db6881337 |
| institution | Directory Open Access Journal |
| issn | 1424-8247 |
| language | English |
| last_indexed | 2024-12-11T01:03:55Z |
| publishDate | 2019-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj.art-92a13398fe794f4aad60d47db68813372022-12-22T01:26:14ZengMDPI AGPharmaceuticals1424-82472019-10-0112415710.3390/ph12040157ph12040157Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika VirusSubhash C. Basak0Subhabrata Majumdar1Ashesh Nandy2Proyasha Roy3Tathagata Dutta4Marjan Vracko5Apurba K. Bhattacharjee6Department of Chemistry and Biochemistry, University of Minnesota, Duluth, MN 55812, USAUniversity of Florida Informatics Institute, Gainesville, FL 32601, USACentre for Interdisciplinary Research and Education, Kolkata 700068, IndiaCentre for Interdisciplinary Research and Education, Kolkata 700068, IndiaCentre for Interdisciplinary Research and Education, Kolkata 700068, IndiaNational Institute of Chemistry, Hajdrihova 19, Ljubljana 1000, SloveniaBiomedical Graduate Research Organization, Department of Microbiology and Immunology School of Medicine, Georgetown University, Washington, DC 20057, USAHuman life has been at the edge of catastrophe for millennia due diseases which emerge and reemerge at random. The recent outbreak of the Zika virus (ZIKV) is one such menace that shook the global public health community abruptly. Modern technologies, including computational tools as well as experimental approaches, need to be harnessed fast and effectively in a coordinated manner in order to properly address such challenges. In this paper, based on our earlier research, we have proposed a four-pronged approach to tackle the emerging pathogens like ZIKV: (a) Epidemiological modelling of spread mechanisms of ZIKV; (b) assessment of the public health risk of newly emerging strains of the pathogens by comparing them with existing strains/pathogens using fast computational sequence comparison methods; (c) implementation of vaccine design methods in order to produce a set of probable peptide vaccine candidates for quick synthesis/production and testing in the laboratory; and (d) designing of novel therapeutic molecules and their laboratory testing as well as validation of new drugs or repurposing of drugs for use against ZIKV. For each of these stages, we provide an extensive review of the technical challenges and current state-of-the-art. Further, we outline the future areas of research and discuss how they can work together to proactively combat ZIKV or future emerging pathogens.https://www.mdpi.com/1424-8247/12/4/157viral epidemicszika virus (zikv)sir models2d graphical methodpeptide vaccine designmahalanobis distanceprincipal component analysis (pca)neighborhood matrixcomputer-assisted anti-zika drug discovery |
| spellingShingle | Subhash C. Basak Subhabrata Majumdar Ashesh Nandy Proyasha Roy Tathagata Dutta Marjan Vracko Apurba K. Bhattacharjee Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus Pharmaceuticals viral epidemics zika virus (zikv) sir models 2d graphical method peptide vaccine design mahalanobis distance principal component analysis (pca) neighborhood matrix computer-assisted anti-zika drug discovery |
| title | Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus |
| title_full | Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus |
| title_fullStr | Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus |
| title_full_unstemmed | Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus |
| title_short | Computer-Assisted and Data Driven Approaches for Surveillance, Drug Discovery, and Vaccine Design for the Zika Virus |
| title_sort | computer assisted and data driven approaches for surveillance drug discovery and vaccine design for the zika virus |
| topic | viral epidemics zika virus (zikv) sir models 2d graphical method peptide vaccine design mahalanobis distance principal component analysis (pca) neighborhood matrix computer-assisted anti-zika drug discovery |
| url | https://www.mdpi.com/1424-8247/12/4/157 |
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