Repurposing Approved Drugs as Inhibitors of Kv7.1 and Nav1.8 to Treat Pitt Hopkins Syndrome

Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data Sets

(2019) Kimberley M. Zorn et al.   MOLECULAR PHARMACEUTICS

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery

(2018) Thomas Lane et al.   MOLECULAR PHARMACEUTICS

Assessment of Substrate Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates

(2018) Philip J Sandoval et al.   MOLECULAR PHARMACOLOGY

Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction

(2018) Daniel P. Russo et al.   MOLECULAR PHARMACEUTICS

Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational Approaches

(2018) Pan-Fen Wang et al.   MOLECULAR PHARMACEUTICS

High Throughput and Computational Repurposing for Neglected Diseases

(2018) Helen W. Hernandez et al.   PHARMACEUTICAL RESEARCH

Psychiatric Risk Gene Transcription Factor 4 Regulates Intrinsic Excitability of Prefrontal Neurons via Repression of SCN10a and KCNQ1

(2016) Matthew D. Rannals et al.   NEURON

Voltage gated sodium channels as drug discovery targets

(2015) Sharan K Bagal et al.   Channels

Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets

(2015) Alex M. Clark et al.   Journal of Chemical Information and Modeling

Open Source Bayesian Models. 2. Mining a “Big Dataset” To Create and Validate Models with ChEMBL

(2015) Alex M. Clark et al.   Journal of Chemical Information and Modeling

Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery

(2015) Sean Ekins et al.   PLoS Neglected Tropical Diseases

Anti-Neuroinflammatory Effects of the Calcium Channel Blocker Nicardipine on Microglial Cells: Implications for Neuroprotection

(2014) Bor-Ren Huang et al.   PLoS One

Structure–Activity Relationship for FDA Approved Drugs As Inhibitors of the Human Sodium Taurocholate Cotransporting Polypeptide (NTCP)

(2013) Zhongqi Dong et al.   MOLECULAR PHARMACEUTICS

Progress in computational toxicology

(2013) Sean Ekins   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

Advances in Targeting Voltage-Gated Sodium Channels with Small Molecules

(2012) Antonio Nardi et al.   ChemMedChem

In silico repositioning of approved drugs for rare and neglected diseases

(2011) Sean Ekins et al.   DRUG DISCOVERY TODAY

Selective dihydropyiridine compounds facilitate the clearance of β-amyloid across the blood–brain barrier

(2011) Corbin Bachmeier et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

KCNE2 forms potassium channels with KCNA3 and KCNQ1 in the choroid plexus epithelium

(2011) Torsten K. Roepke et al.   FASEB JOURNAL

Integrated in Silico−in Vitro Strategy for Addressing Cytochrome P450 3A4 Time-Dependent Inhibition

(2010) Michael Zientek et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Identification and Validation of Novel Human Pregnane X Receptor Activators among Prescribed Drugs via Ligand-Based Virtual Screening

(2010) Y. Pan et al.   DRUG METABOLISM AND DISPOSITION

A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver Injury

(2010) S. Ekins et al.   DRUG METABOLISM AND DISPOSITION

Quantitative Structure Activity Relationship for Inhibition of Human Organic Cation/Carnitine Transporter

(2010) Lei Diao et al.   MOLECULAR PHARMACEUTICS

The trafficking of NaV1.8

(2010) Richard S. Swanwick et al.   NEUROSCIENCE LETTERS

Computational Models for Drug Inhibition of the Human Apical Sodium-Dependent Bile Acid Transporter

(2009) Xiaowan Zheng et al.   MOLECULAR PHARMACEUTICS

Arrhythmia in Heart and Brain: KCNQ1 Mutations Link Epilepsy and Sudden Unexplained Death

(2009) A. M. Goldman et al.   Science Translational Medicine

Challenges Predicting Ligand-Receptor Interactions of Promiscuous Proteins: The Nuclear Receptor PXR

(2009) Sean Ekins et al.   PLoS Computational Biology

Kv7.1 (KCNQ1) properties and channelopathies

(2008) David Peroz et al.   JOURNAL OF PHYSIOLOGY-LONDON