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Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells

Drug target prediction is an important method for drug discovery and design, can disclose the potential inhibitory effect of active compounds, and is particularly relevant to many diseases that have the potential to kill, such as dengue, but lack any healing agent. An antiviral drug is urgently requ...

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Autores principales: Hengphasatporn, Kowit, Plaimas, Kitiporn, Suratanee, Apichat, Wongsriphisant, Peemapat, Yang, Jinn-Moon, Shigeta, Yasuteru, Chavasiri, Warinthorn, Boonyasuppayakorn, Siwaporn, Rungrotmongkol, Thanyada
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7221756/
https://www.ncbi.nlm.nih.gov/pubmed/32325755
http://dx.doi.org/10.3390/molecules25081883
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author Hengphasatporn, Kowit
Plaimas, Kitiporn
Suratanee, Apichat
Wongsriphisant, Peemapat
Yang, Jinn-Moon
Shigeta, Yasuteru
Chavasiri, Warinthorn
Boonyasuppayakorn, Siwaporn
Rungrotmongkol, Thanyada
author_facet Hengphasatporn, Kowit
Plaimas, Kitiporn
Suratanee, Apichat
Wongsriphisant, Peemapat
Yang, Jinn-Moon
Shigeta, Yasuteru
Chavasiri, Warinthorn
Boonyasuppayakorn, Siwaporn
Rungrotmongkol, Thanyada
author_sort Hengphasatporn, Kowit
collection PubMed
description Drug target prediction is an important method for drug discovery and design, can disclose the potential inhibitory effect of active compounds, and is particularly relevant to many diseases that have the potential to kill, such as dengue, but lack any healing agent. An antiviral drug is urgently required for dengue treatment. Some potential antiviral agents are still in the process of drug discovery, but the development of more effective active molecules is in critical demand. Herein, we aimed to provide an efficient technique for target prediction using homopharma and network-based methods, which is reliable and expeditious to hunt for the possible human targets of three phenolic lipids (anarcardic acid, cardol, and cardanol) related to dengue viral (DENV) infection as a case study. Using several databases, the similarity search and network-based analyses were applied on the three phenolic lipids resulting in the identification of seven possible targets as follows. Based on protein annotation, three phenolic lipids may interrupt or disturb the human proteins, namely KAT5, GAPDH, ACTB, and HSP90AA1, whose biological functions have been previously reported to be involved with viruses in the family Flaviviridae. In addition, these phenolic lipids might inhibit the mechanism of the viral proteins: NS3, NS5, and E proteins. The DENV and human proteins obtained from this study could be potential targets for further molecular optimization on compounds with a phenolic lipid core structure in anti-dengue drug discovery. As such, this pipeline could be a valuable tool to identify possible targets of active compounds.
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spelling pubmed-72217562020-05-21 Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells Hengphasatporn, Kowit Plaimas, Kitiporn Suratanee, Apichat Wongsriphisant, Peemapat Yang, Jinn-Moon Shigeta, Yasuteru Chavasiri, Warinthorn Boonyasuppayakorn, Siwaporn Rungrotmongkol, Thanyada Molecules Article Drug target prediction is an important method for drug discovery and design, can disclose the potential inhibitory effect of active compounds, and is particularly relevant to many diseases that have the potential to kill, such as dengue, but lack any healing agent. An antiviral drug is urgently required for dengue treatment. Some potential antiviral agents are still in the process of drug discovery, but the development of more effective active molecules is in critical demand. Herein, we aimed to provide an efficient technique for target prediction using homopharma and network-based methods, which is reliable and expeditious to hunt for the possible human targets of three phenolic lipids (anarcardic acid, cardol, and cardanol) related to dengue viral (DENV) infection as a case study. Using several databases, the similarity search and network-based analyses were applied on the three phenolic lipids resulting in the identification of seven possible targets as follows. Based on protein annotation, three phenolic lipids may interrupt or disturb the human proteins, namely KAT5, GAPDH, ACTB, and HSP90AA1, whose biological functions have been previously reported to be involved with viruses in the family Flaviviridae. In addition, these phenolic lipids might inhibit the mechanism of the viral proteins: NS3, NS5, and E proteins. The DENV and human proteins obtained from this study could be potential targets for further molecular optimization on compounds with a phenolic lipid core structure in anti-dengue drug discovery. As such, this pipeline could be a valuable tool to identify possible targets of active compounds. MDPI 2020-04-18 /pmc/articles/PMC7221756/ /pubmed/32325755 http://dx.doi.org/10.3390/molecules25081883 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Hengphasatporn, Kowit
Plaimas, Kitiporn
Suratanee, Apichat
Wongsriphisant, Peemapat
Yang, Jinn-Moon
Shigeta, Yasuteru
Chavasiri, Warinthorn
Boonyasuppayakorn, Siwaporn
Rungrotmongkol, Thanyada
Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
title Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
title_full Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
title_fullStr Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
title_full_unstemmed Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
title_short Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
title_sort target identification using homopharma and network-based methods for predicting compounds against dengue virus-infected cells
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7221756/
https://www.ncbi.nlm.nih.gov/pubmed/32325755
http://dx.doi.org/10.3390/molecules25081883
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