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Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents

Open access
Zhou, Ying, Zhang, Yintao, Lian, Xichen, Li, Fengcheng, Wang, Chaoxin, Zhu, Feng, Qiu, Yunqing, Chen, Yuzong·2022·Nucleic Acids Research

Abstract

Drug discovery relies on the knowledge of not only drugs and targets, but also the comparative agents and targets. These include poor binders and non-binders for developing discovery tools, prodrugs for improved therapeutics, co-targets of therapeutic targets for multi-target strategies and off-target investigations, and the collective structure-activity and drug-likeness landscapes of enhanced drug feature. However, such valuable data are inadequately covered by the available databases. In this study, a major update of the Therapeutic Target Database, previously featured in NAR, was therefore introduced. This update includes (a) 34 861 poor binders and 12 683 non-binders of 1308 targets; (b) 534 prodrug-drug pairs for 121 targets; (c) 1127 co-targets of 672 targets regulated by 642 approved and 624 clinical trial drugs; (d) the collective structure-activity landscapes of 427 262 active agents of 1565 targets; (e) the profiles of drug-like properties of 33 598 agents of 1102 targets. Moreover, a variety of additional data and function are provided, which include the cross-links to the target structure in PDB and AlphaFold, 159 and 1658 newly emerged targets and drugs, and the advanced search function for multi-entry target sequences or drug structures. The database is accessible without login requirement at: https://idrblab.org/ttd/.

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Metadata

Authors
Zhou, Y., Zhang, Y., Lian, X., Li, F., Wang, C., Zhu, F., Qiu, Y., & Chen, Y.
Venue
Nucleic Acids Research
Published
2021-10-28
Volume
50
Issue
D1
Pages
D1398-D1407
ISSN
  • 0305-1048 (ISSN-L)
  • 1362-4962
OpenAlex
W3210331473
Cited by
665
References
79
FWCI
67.86
Type
journal article
Language
en
Open access
gold

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CoChat. (2026). Citation check: Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents. https://app.cochat.ai/papers/10.1093/nar/gkab953
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Zhou, Y., Zhang, Y., Lian, X., Li, F., Wang, C., Zhu, F., Qiu, Y., & Chen, Y. (2022). Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents. Nucleic Acids Research. https://doi.org/10.1093/nar/gkab953

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