Proteochemometric Method for pIC50 Prediction of Flaviviridae.
Viruses remain an area of concern despite constant development of antiviral drugs and therapies. One of the contributors is the Flaviviridae family of viruses causing diseases that need attention. Among other anitviral methods, antiviral peptides are being studied as viable candidates. Although anti...
| Publicado en: | BioMed Research International pp. 1 - 8 |
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| Autores principales: | , , , |
| Formato: | equations & formulas research tables/charts Journal Article |
| Publicado: |
Wiley-Blackwell
9/15/2022
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=159141067&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 159141067 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 23146133 FT2T jtl: BioMed Research International issn: 23146133 maglogo: N pubinfo: dt: 9/15/2022 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 159141067 159141067 159141067 10.1155/2022/7901791 159141067 ppf: 1 ppct: 7 formats: fmt: – @attributes: type: T – @attributes: type: P tig: atl: Proteochemometric Method for pIC50 Prediction of Flaviviridae. aug: au: Singh, Divye Mahadik, Avani Surana, Shraddha Arora, Pooja affil: Engineering for Research, Thoughtworks Technologies, Pune, Maharashtra 411006, India sug: subj: Machine Learning Methods Flaviviridae Human Antiviral Agents Therapeutics ab: Viruses remain an area of concern despite constant development of antiviral drugs and therapies. One of the contributors is the Flaviviridae family of viruses causing diseases that need attention. Among other anitviral methods, antiviral peptides are being studied as viable candidates. Although antiviral peptides (AVPs) are emerging as potential therapeutics, it is important to assess the efficacy of a given peptide in terms of its bioactivity. Experimental identification of the bioactivity of each potential peptide is an expensive and time consuming task. Computational methods like proteochemometric modeling (PCM) is a promising method for prediction of bioactivity (pIC50) based on peptide and target sequence pair. In this study, we propose a prediction of pIC50 of AVP against the Flaviviridae family that may help make the decision to choose a peptide with desired efficacy. The peptides data was collected from a public database and target sequences were manually curated from literature. Features are calculated using peptide and target sequence PCM descriptors which consist of individual and cross-term features of peptide and respective target. The resultant R 2 and MAPE values are 0.85 and 8.44%, respectively, for prediction of pIC50 value of AVPs. pubtype: Academic Journal doctype: equations & formulas research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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