Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learning Article Swipe
Xin Zeng
,
Guang-Peng Su
,
Shujuan Li
,
Shuang‐Qing Lv
,
Meng‐Liang Wen
,
Yi Li
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1186/s12859-024-05783-w
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1186/s12859-024-05783-w
Background Accurately identifying drug-target interaction (DTI), affinity (DTA), and binding sites (DTS) is crucial for drug screening, repositioning, and design, as well as for understanding the functions of target. Although there are a few online platforms based on deep learning for drug-target interaction, affinity, and binding sites identification, there is currently no integrated online platforms for all three aspects. Results Our solution, the novel integrated online platform Drug-Online, has been developed to facilitate drug screening, target identification, and understanding the functions of target in a progressive manner of “interaction-affinity-binding sites”. Drug-Online platform consists of three parts: the first part uses the drug-target interaction identification method MGraphDTA, based on graph neural networks (GNN) and convolutional neural networks (CNN), to identify whether there is a drug-target interaction. If an interaction is identified, the second part employs the drug-target affinity identification method MMDTA, also based on GNN and CNN, to calculate the strength of drug-target interaction, i.e., affinity. Finally, the third part identifies drug-target binding sites, i.e., pockets. The method pt-lm-gnn used in this part is also based on GNN. Conclusions Drug-Online is a reliable online platform that integrates drug-target interaction, affinity, and binding sites identification. It is freely available via the Internet at http://39.106.7.26:8000/Drug-Online/ .
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1186/s12859-024-05783-w
- https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-024-05783-w
- OA Status
- gold
- Cited By
- 5
- References
- 39
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4394978144
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4394978144Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1186/s12859-024-05783-wDigital Object Identifier
- Title
-
Drug-Online: an online platform for drug-target interaction, affinity, and binding sites identification using deep learningWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2024Year of publication
- Publication date
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2024-04-20Full publication date if available
- Authors
-
Xin Zeng, Guang-Peng Su, Shujuan Li, Shuang‐Qing Lv, Meng‐Liang Wen, Yi LiList of authors in order
- Landing page
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https://doi.org/10.1186/s12859-024-05783-wPublisher landing page
- PDF URL
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https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-024-05783-wDirect link to full text PDF
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
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https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-024-05783-wDirect OA link when available
- Concepts
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Drug, Identification (biology), Computational biology, Drug discovery, Drug target, Computer science, Drug-drug interaction, Drug repositioning, Data science, World Wide Web, Pharmacology, Bioinformatics, Biology, BotanyTop concepts (fields/topics) attached by OpenAlex
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5Total citation count in OpenAlex
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2025: 4, 2024: 1Per-year citation counts (last 5 years)
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39Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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