標題: Target Identification Using Homopharma and Network-Based Methods for Predicting Compounds Against Dengue Virus-Infected Cells
作者: Hengphasatporn, Kowit
Plaimas, Kitiporn
Suratanee, Apichat
Wongsriphisant, Peemapat
Yang, Jinn-Moon
Shigeta, Yasuteru
Chavasiri, Warinthorn
Boonyasuppayakorn, Siwaporn
Rungrotmongkol, Thanyada
交大名義發表
生物科技學系
生物資訊及系統生物研究所
National Chiao Tung University
Department of Biological Science and Technology
Institude of Bioinformatics and Systems Biology
關鍵字: dengue;homopharma;network-based analysis;phenolic lipid;target identification;bioinformatic;virus-host interactions
公開日期: 2-Apr-2020
摘要: 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.
URI: http://dx.doi.org/10.3390/molecules25081883
http://hdl.handle.net/11536/154556
DOI: 10.3390/molecules25081883
期刊: MOLECULES
Volume: 25
Issue: 8
起始頁: 0
結束頁: 0
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