Journal ArticleDOI
Data completeness—the Achilles heel of drug-target networks
Jordi Mestres,Elisabet Gregori-Puigjané,Sergi Valverde,Sergi Valverde,Ricard V. Solé,Ricard V. Solé +5 more
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This article is published in Nature Biotechnology.The article was published on 2008-09-01. It has received 245 citations till now.read more
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Large-scale prediction and testing of drug activity on side-effect targets
Eugen Lounkine,Michael J. Keiser,Steven Whitebread,Dmitri Mikhailov,Jacques Hamon,Jeremy L. Jenkins,Paul Lavan,Eckhard Weber,Allison K. Doak,Serge Côté,Brian K. Shoichet,Laszlo Urban +11 more
TL;DR: An association metric is developed to prioritize those new off-targets that explained side effects better than any known target of a given drug, creating a drug–target–adverse drug reaction network and may have wide application to de-risking toxicological liabilities in drug discovery.
Journal ArticleDOI
Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference
Feixiong Cheng,Chuang Liu,Jing Jiang,Weiqiang Lu,Weihua Li,Guixia Liu,Wei-Xing Zhou,Jin Huang,Yun Tang +8 more
TL;DR: Three supervised inference methods were developed here to predict DTI and used for drug repositioning and indicated that these methods could be powerful tools in prediction of DTIs and drugRepositioning.
Journal ArticleDOI
New Perspectives on How to Discover Drugs from Herbal Medicines: CAM's Outstanding Contribution to Modern Therapeutics.
Si Yuan Pan,Shu-Feng Zhou,Si Hua Gao,Zhi-Ling Yu,Shuo Feng Zhang,Min Ke Tang,Jian Ning Sun,Dik-Lung Ma,Yifan Han,Wang Fun Fong,Kam Ming Ko +10 more
TL;DR: The prospect of drug discovery from herbal medicines in the postgenomic era was made with the provision of future directions in this area of drug development.
Journal ArticleDOI
Virtual screening strategies in drug discovery: a critical review.
Antonio Lavecchia,C. Di Giovanni +1 more
TL;DR: This review provides a comprehensive appraisal of several VS approaches currently available and special emphasis will be given to in silico chemogenomics approaches which utilize annotated ligand-target as well as protein-ligand interaction databases and which could predict or reveal promiscuous binding and polypharmacology.
Journal ArticleDOI
Polypharmacology - foe or friend?
TL;DR: This perspective aims to provide a balanced view on polypharmacology, which can compromise the safety of drugs, but can also confer superior efficacy.
References
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Journal ArticleDOI
DrugBank: a comprehensive resource for in silico drug discovery and exploration
David S. Wishart,Craig Knox,An Chi Guo,Savita Shrivastava,Murtaza Hassanali,Paul Stothard,Zhan Chang,Jennifer Woolsey +7 more
TL;DR: DrugBank is a unique bioinformatics/cheminformatics resource that combines detailed drug data with comprehensive drug target information and is fully searchable supporting extensive text, sequence, chemical structure and relational query searches.
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The druggable genome
Andrew L. Hopkins,Colin R. Groom +1 more
TL;DR: An assessment of the number of molecular targets that represent an opportunity for therapeutic intervention is crucial to the development of post-genomic research strategies within the pharmaceutical industry.
Journal ArticleDOI
The human disease network
Kwang-Il Goh,Michael E. Cusick,David Valle,Barton Childs,Marc Vidal,Albert-László Barabási,Albert-László Barabási +6 more
TL;DR: This paper found that essential human genes are likely to encode hub proteins and are expressed widely in most tissues, while the vast majority of disease genes are non-essential and show no tendency to encoding hub proteins, and their expression pattern indicates that they are localized in the functional periphery of the network.
Journal Article
human disease network
TL;DR: It is found that essential human genes are likely to encode hub proteins and are expressed widely in most tissues, suggesting that disease genes also would play a central role in the human interactome, and that diseases caused by somatic mutations should not be peripheral.
Journal ArticleDOI
Drug—target network
Muhammed A. Yildirim,Kwang-Il Goh,Kwang-Il Goh,Kwang-Il Goh,Michael E. Cusick,Albert-László Barabási,Albert-László Barabási,Albert-László Barabási,Marc Vidal +8 more
TL;DR: A bipartite graph composed of US Food and Drug Administration–approved drugs and proteins linked by drug–target binary associations is built, showing an overabundance of 'follow-on' drugs, that is, drugs that target already targeted proteins.
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Michael J. Keiser,Vincent Setola,John J. Irwin,Christian Laggner,Atheir I. Abbas,Sandra J. Hufeisen,Niels H. Jensen,Michael B. Kuijer,Roberto R. Capela de Matos,Thuy B. Tran,Ryan Whaley,Richard A. Glennon,Jérôme Hert,Kelan L. Thomas,Douglas D. Edwards,Brian K. Shoichet,Bryan L. Roth,Bryan L. Roth +17 more