SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug–target interactions and drug repositioning

Intracrine Androgens and AKR1C3 Activation Confer Resistance to Enzalutamide in Prostate Cancer

(2015) C. Liu et al.   CANCER RESEARCH

Association of Aspirin and NSAID Use With Risk of Colorectal Cancer According to Genetic Variants

(2015) Hongmei Nan et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

The Purchasable Chemical Space: A Detailed Picture

(2015) Xavier Lucas et al.   Journal of Chemical Information and Modeling

Federalist principles for healthcare data networks

(2015) Kenneth D Mandl et al.   NATURE BIOTECHNOLOGY

FXR antagonism of NSAIDs contributes to drug-induced liver injury identified by systems pharmacology approach

(2015) Weiqiang Lu et al.   Scientific Reports

Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens

(2015) Yu-Chen Lo et al.   PLoS Computational Biology

Clinical development success rates for investigational drugs

(2014) Michael Hay et al.   NATURE BIOTECHNOLOGY

Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology

(2014) Jie Li et al.   Scientific Reports

Drug–target interaction prediction through domain-tuned network-based inference

(2013) Salvatore Alaimo et al.   BIOINFORMATICS

Similarity-based machine learning methods for predicting drug–target interactions: a brief review

(2013) Hao Ding et al.   BRIEFINGS IN BIOINFORMATICS

Steroidogenic Enzyme AKR1C3 Is a Novel Androgen Receptor-Selective Coactivator that Promotes Prostate Cancer Growth

(2013) M. Yepuru et al.   CLINICAL CANCER RESEARCH

Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space

(2013) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

Adverse Drug Events: Database Construction and in Silico Prediction

(2013) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

Development of Potent and Selective Indomethacin Analogues for the Inhibition of AKR1C3 (Type 5 17β-Hydroxysteroid Dehydrogenase/Prostaglandin F Synthase) in Castrate-Resistant Prostate Cancer

(2013) Andy J. Liedtke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Prediction of human genes and diseases targeted by xenobiotics using predictive toxicogenomic-derived models (PTDMs)

(2013) Feixiong Cheng et al.   Molecular BioSystems

CDK2 and mTOR are direct molecular targets of isoangustone A in the suppression of human prostate cancer cell growth

(2013) Eunjung Lee et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Retroperitoneal teratoma with somatic malignant transformation: A papillary renal cell carcinoma in a testicular germ cell tumour metastasis following platinum-based chemotherapy

(2013) Nina Zeh et al.   BMC Urology

In Silico Assessment of Chemical Biodegradability

(2012) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

Drug–target interaction prediction by random walk on the heterogeneous network

(2012) Xing Chen et al.   Molecular BioSystems

Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods

(2012) Feixiong Cheng et al.   Molecular BioSystems

In this issue

(2012)   NATURE REVIEWS DRUG DISCOVERY

Crystal Structures of Three Classes of Non-Steroidal Anti-Inflammatory Drugs in Complex with Aldo-Keto Reductase 1C3

(2012) Jack U. Flanagan et al.   PLoS One

Prediction of Chemical-Protein Interactions Network with Weighted Network-Based Inference Method

(2012) Feixiong Cheng et al.   PLoS One

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

(2012) Feixiong Cheng et al.   PLoS Computational Biology

Acetaminophen-induced differentiation of human breast cancer stem cells and inhibition of tumor xenograft growth in mice

(2011) Masaya Takehara et al.   BIOCHEMICAL PHARMACOLOGY

Exploiting drug-disease relationships for computational drug repositioning

(2011) J. T. Dudley et al.   BRIEFINGS IN BIOINFORMATICS

Targeting Tumor Hypoxia: Suppression of Breast Tumor Growth and Metastasis by Novel Carbonic Anhydrase IX Inhibitors

(2011) Y. Lou et al.   CANCER RESEARCH

Antitumor effect of meclofenamic acid on human androgen-independent prostate cancer: a preclinical evaluation

(2011) Alejandro D. Soriano-Hernández et al.   INTERNATIONAL UROLOGY AND NEPHROLOGY

Extracting Sets of Chemical Substructures and Protein Domains Governing Drug-Target Interactions

(2011) Yoshihiro Yamanishi et al.   Journal of Chemical Information and Modeling

Chemical Structural Novelty: On-Targets and Off-Targets

(2011) Emmanuel R. Yera et al.   JOURNAL OF MEDICINAL CHEMISTRY

DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical–protein interactome

(2011) Heng Luo et al.   NUCLEIC ACIDS RESEARCH

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds

(2011) Christopher Southan et al.   Journal of Cheminformatics

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

(2010) Y. Yamanishi et al.   BIOINFORMATICS

Stable alterations of CD44 isoform expression in prostate cancer cells decrease invasion and growth and alter ligand binding and chemosensitivity

(2010) Kui Yang et al.   BMC CANCER

Estimation of ADME Properties with Substructure Pattern Recognition

(2010) Jie Shen et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

(2010) C. Knox et al.   NUCLEIC ACIDS RESEARCH

NS-398, ibuprofen, and cyclooxygenase-2 RNA interference produce significantly different gene expression profiles in prostate cancer cells

(2009) M. John-Aryankalayil et al.   MOLECULAR CANCER THERAPEUTICS

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

Chemical substructures that enrich for biological activity

(2008) Justin Klekota et al.   BIOINFORMATICS

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces

(2008) Y. Yamanishi et al.   BIOINFORMATICS

Carbonic anhydrase inhibitors: Inhibition of mammalian isoforms I–XIV with a series of substituted phenols including paracetamol and salicylic acid

(2008) Alessio Innocenti et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Estrogen Receptor Regulation of Carbonic Anhydrase XII through a Distal Enhancer in Breast Cancer

(2008) D. H. Barnett et al.   CANCER RESEARCH

Carprofen induction of p75NTR-dependent apoptosis via the p38 mitogen-activated protein kinase pathway in prostate cancer cells

(2008) F. S. Khwaja et al.   MOLECULAR CANCER THERAPEUTICS

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

Comparative Toxicogenomics Database: a knowledgebase and discovery tool for chemical-gene-disease networks

(2008) A. P. Davis et al.   NUCLEIC ACIDS RESEARCH

An indomethacin analogue, N-(4-chlorobenzoyl)-melatonin, is a selective inhibitor of aldo-keto reductase 1C3 (type 2 3α-HSD, type 5 17β-HSD, and prostaglandin F synthase), a potential target for the treatment of hormone dependent and hormone independent malignancies

(2007) Michael C. Byrns et al.   BIOCHEMICAL PHARMACOLOGY