Abstract:
:The modern drug discovery process is steadily becoming more information driven. Structural, physicochemical and ADME-Tox property profiles of reference (successful) ligands, along with structural information of their target proteins, have been extremely useful for early-stage drug discovery. Recently, databases of known biologically active ligands (knowledge bases) have become more focused toward different protein-target classes. The number of new chemoinformatics tools used to analyze structures and properties of successful molecules has also increased enormously. Scientists in this area are exploring new physicochemical properties and appropriate drug sets to understand druglike properties. In this review, the various uses of the ligand knowledge bases in the drug discovery process have been critically reviewed.
journal_name
Drug Discov Todayjournal_title
Drug discovery todayauthors
Ghose AK,Herbertz T,Salvino JM,Mallamo JPdoi
10.1016/j.drudis.2006.10.012subject
Has Abstractpub_date
2006-12-01 00:00:00pages
1107-14issue
23-24eissn
1359-6446issn
1878-5832pii
S1359-6446(06)00433-8journal_volume
11pub_type
杂志文章,评审abstract::Pulmonary arterial hypertension (PAH) is a progressive disease that involves pathological remodeling, vasoconstriction and thrombosis. Alterations in hemostasis, coagulation and platelet activation are consistently observed in PAH patients. Microparticles derived from platelets, inflammatory cells and the endothelium ...
journal_title:Drug discovery today
pub_type: 杂志文章,评审
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journal_title:Drug discovery today
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2006.07.011
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journal_title:Drug discovery today
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2007.07.024
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journal_title:Drug discovery today
pub_type: 历史文章,杂志文章
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2014.03.017
更新日期:2014-09-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2018.07.009
更新日期:2019-01-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章
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更新日期:2015-11-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2008.12.008
更新日期:2009-03-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2020.10.026
更新日期:2021-01-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2012.02.007
更新日期:2012-07-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章
doi:10.1016/S1359-6446(05)03374-X
更新日期:2005-02-15 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2020.07.003
更新日期:2020-09-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2011.05.002
更新日期:2011-07-01 00:00:00
abstract::Recent groundbreaking work in genetics has identified thousands of small-effect genetic variants throughout the genome that are associated with almost all major diseases. These genome-wide association studies (GWAS) are often proposed as a source of future medical breakthroughs. However, with several notable exception...
journal_title:Drug discovery today
pub_type: 杂志文章
doi:10.1016/j.drudis.2015.05.012
更新日期:2015-10-01 00:00:00
abstract::Understanding skin metabolism is important when considering drug discovery and safety assessment. This review compares xenobiotic skin metabolism in ex vivo skin to reconstructed human skin and reconstructed human epidermis models, concentrating on phase I and phase II enzymes. Reports on phase I enzymes are more abun...
journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2019.06.002
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journal_title:Drug discovery today
pub_type: 杂志文章
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journal_title:Drug discovery today
pub_type: 杂志文章
doi:10.1016/j.drudis.2014.03.025
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2015.05.005
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2015.05.003
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journal_title:Drug discovery today
pub_type: 杂志文章
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2013.05.012
更新日期:2013-08-01 00:00:00
abstract::Rab GTPases constitute the largest family of small GTPases. Rabs regulate not only membrane trafficking but also cell signaling, growth and survival, and development. Increasingly, Rabs and their effectors are shown to be overexpressed or subject to loss-of-function mutations in a variety of disease settings, includin...
journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2017.03.012
更新日期:2017-08-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
doi:10.1016/j.drudis.2013.06.003
更新日期:2014-02-01 00:00:00
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journal_title:Drug discovery today
pub_type: 杂志文章,评审
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journal_title:Drug discovery today
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