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IDRB: 数据库
据库构建

本课题组已成功建立多个生物信息学和药物信息学数据库,具体如下:

TTD: THERAPEUTIC TARGET DATABASE

    Database URL: http://database.idrb.cqu.edu.cn/ttd/

    Last Update: Jan, 2012

    TTD is a database to provide information about the known and explored therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets. Also included in this database are links to relevant databases containing information about target function, sequence, 3D structure, ligand binding properties, enzyme nomenclature and drug structure, therapeutic class, clinical development status. All information provided are fully referenced. This database currently contains 2,025 targets, including 364 successful, 286 clinical trial, 44 discontinued and 1,331 research targets, 17,816 drugs, including 1,540 approved, 1,423 clinical trial, 14,853 experimental drugs and 3,681 multi-target agents (14,170 small molecules and 652 antisense drugs with available structure or oligonucleotide sequence). Targets and drugs in this database cover 61 protein biochemical class and 140 drug therapeutic classes respectively. TTD Version 4.3.02 release on Aug 25th 2011. New version of TTD provides Quantitative Structure-Activity Relationship (QSAR) models and Target Validation Information for TTD drug target. Moreover, Multi Target Agents Data with structure and potency information, Drug Combinations and Nature-derived Drugs together with drug species origin data are also included. TTD is accessible free of charge at http://bidd.nus.edu.sg/group/ttd/.

    Structures from this database have been available in PubChem since Feb 21st, 2012.
    This database has been highlighted and reported by:
    • "FACULTYof1000" as "the top 2% of published articles in biology and medicine" and "a most useful resource for scientists and companies working on drug discovery and validation, drug lead discovery and optimization, and the development of multi-target drugs and drug combinations".
    • Prof. Chris Southan in his blog as "Therapeutic Target Database in PubChem".
TVD: TARGET VALIDATION DATABASE

    Database URL: http://bidd.nus.edu.sg/group/TVDtest/TVD.asp

    Last Update: Dec, 2011

    Target validation is important in selecting the right targets for drug discovery, which evaluates multiple profiles including the expression and relevance of targets in disease models, the potencies of drugs in modulating target activity and disease models, and the correlation of these activities to the claimed therapeutic effects. Target validation data, particularly those of successful and clinical trial targets, is useful for facilitating target discovery, validation and analysis. We updated the Therapeutic Target Database to provide several types of target validation data for 243 (348) successful, 233 (292) clinical trial and 154 research targets. The data includes the potencies of drugs against their efficacy targets and disease relevant cell-lines expressing these targets (IC50, Ki, EC50), and the effects of target knock-out or variation in target sequence, expression and activity in disease models. These data can be accessed via the “target validation” button linked to a separate search page, where a particular target by keyword search or target selection from a target list manual. The relevant data is also shown in the corresponding target page in TTD. Target Validation Database (TVD) provides validation information for therapeutic targets. We would like to offer various targets validation information both in vivo and in vitro tests. DPD is accessible free of charge at http://bidd.nus.edu.sg/group/TVDtest/TVD.asp.

DPD: DRUG POTENCY DATABASE

    Database URL: http://bidd.nus.edu.sg/group/IDAD/IDAD_Home.asp

    Last Update: Apr, 2010

    DPD is a relational database focusing on providing activity information of drugs, clinical trial compounds and experimental agents directed at their corresponding therapeutic targets. Also included in this database are links to relevant databases containing information about target function, sequence, 3D structure, ligand biding properties, enzyme nomenclature and drug structure, therapeutic class, clinical development status. All information provided are fully referenced. Currently this database contains 5000 records of activity for around 3000 compounds directed at about 500 targets. Near 300 compounds in DPD have already approved or been in the clinical trial stage. All information provided can be traced back to TTD: Therapeutic Target Database. DPD is accessible free of charge at http://bidd.nus.edu.sg/group/IDAD/IDAD_Home.asp.

IDRB: Innovative Drug Research and Bioinformatics Group

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