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QSAR-Based Computational Approaches to Accelerate the Discovery of Sigma-2 Receptor (S2R) Ligands as Therapeutic Drugs

Molecules (Basel, Switzerland), 2021-08, Vol.26 (17), p.5270

2021

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Novel virtual screening approach for the discovery of human tyrosinase inhibitors

PloS one, 2014-11, Vol.9 (11), p.e112788-e112788

2014

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Gaussian mixture clustering and imputation of microarray data

Bioinformatics, 2004-04, Vol.20 (6), p.917-923

2004

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Potent Inhibitors of Human Organic Anion Transporters 1 and 3 from Clinical Drug Libraries: Discovery and Molecular Characterization

Molecular pharmaceutics, 2012-11, Vol.9 (11), p.3340-3346

2012

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Machine learning models to predict ligand binding affinity for the orexin 1 receptor

Artificial intelligence chemistry, 2024-06, Vol.2 (1), p.100040, Article 100040

2024

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Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology

Environmental toxicology and chemistry, 2003-08, Vol.22 (8), p.1666-1679

2003

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Human Pregnane X Receptor Antagonists and Agonists Define Molecular Requirements for Different Binding Sites

Molecular pharmacology, 2007-09, Vol.72 (3), p.592-603

2007

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Novel Sigma 1 Receptor Antagonists as Potential Therapeutics for Pain Management

Journal of medicinal chemistry, 2021-01, Vol.64 (1), p.890-904

2021

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Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators

Pharmaceutical research, 2009-04, Vol.26 (4), p.1001-1011

2009

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Detecting hidden sequence propensity for amyloid fibril formation

Protein science, 2004-08, Vol.13 (8), p.2149-2160

2004

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Evolution of the bile salt nuclear receptor FXR in vertebrates

Journal of lipid research, 2008-07, Vol.49 (7), p.1577-1587

2008

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Computational Discovery of Novel Low Micromolar Human Pregnane X Receptor Antagonists

Molecular pharmacology, 2008-09, Vol.74 (3), p.662-672

2008

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Identification of an irreversible PPARγ antagonist with potent anticancer activity

Pharmacology research & perspectives, 2020-12, Vol.8 (6), p.e00693-n/a

2020

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Comprehensive 3D-QSAR Model Predicts Binding Affinity of Structurally Diverse Sigma 1 Receptor Ligands

Journal of chemical information and modeling, 2019-01, Vol.59 (1), p.486-497

2019

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Highly Chlorinated PCBs Inhibit the Human Xenobiotic Response Mediated by the Steroid and Xenobiotic Receptor (SXR)

Environmental health perspectives, 2004-02, Vol.112 (2), p.163-169

2004

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Micellar and structural stability of nanoscale amphiphilic polymers: Implications for anti-atherosclerotic bioactivity

Biomaterials, 2016-04, Vol.84, p.230-240

2016

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Stepping into the omics era: Opportunities and challenges for biomaterials science and engineering

Acta biomaterialia, 2016-04, Vol.34, p.133-142

2016

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Ligand specificity and evolution of liver X receptors

The Journal of steroid biochemistry and molecular biology, 2008-05, Vol.110 (1), p.83-94

2008

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Computational De Novo Peptide and Protein Design: Rigid Templates versus Flexible Templates

Industrial & engineering chemistry research, 2008-02, Vol.47 (4), p.993-1001

2008

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Bisphenol A and Its Analogues Activate Human Pregnane X Receptor

Environmental health perspectives, 2012-03, Vol.120 (3), p.399-405

2012

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Understanding nuclear receptors using computational methods

Drug discovery today, 2009-05, Vol.14 (9), p.486-494

2009

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Clinical Care of Patients with Neurocognitive Disorders: A Qualitative Study of the Psychiatric Residency Training Experience

Academic psychiatry, 2024-04, Vol.48 (2), p.143-147

2024

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The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation

Drug metabolism and disposition, 2009-06, Vol.37 (6), p.1295

2009

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Virtual Screening and Experimental Testing of B1 Metallo-β-lactamase Inhibitors

Journal of chemical information and modeling, 2018-09, Vol.58 (9), p.1902-1914

2018

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QSAR-Based Computational Approaches to Accelerate the Discovery of Sigma-2 Receptor (S2R) Ligands as Therapeutic Drugs

Novel virtual screening approach for the discovery of human tyrosinase inhibitors

Gaussian mixture clustering and imputation of microarray data

Potent Inhibitors of Human Organic Anion Transporters 1 and 3 from Clinical Drug Libraries: Discovery and Molecular Characterization

Machine learning models to predict ligand binding affinity for the orexin 1 receptor

Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology

Human Pregnane X Receptor Antagonists and Agonists Define Molecular Requirements for Different Binding Sites

Novel Sigma 1 Receptor Antagonists as Potential Therapeutics for Pain Management

Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators

Detecting hidden sequence propensity for amyloid fibril formation

Evolution of the bile salt nuclear receptor FXR in vertebrates

Computational Discovery of Novel Low Micromolar Human Pregnane X Receptor Antagonists

Identification of an irreversible PPARγ antagonist with potent anticancer activity

Comprehensive 3D-QSAR Model Predicts Binding Affinity of Structurally Diverse Sigma 1 Receptor Ligands

Highly Chlorinated PCBs Inhibit the Human Xenobiotic Response Mediated by the Steroid and Xenobiotic Receptor (SXR)

Micellar and structural stability of nanoscale amphiphilic polymers: Implications for anti-atherosclerotic bioactivity

Stepping into the omics era: Opportunities and challenges for biomaterials science and engineering

Ligand specificity and evolution of liver X receptors

Computational De Novo Peptide and Protein Design: Rigid Templates versus Flexible Templates

Bisphenol A and Its Analogues Activate Human Pregnane X Receptor

Understanding nuclear receptors using computational methods

Clinical Care of Patients with Neurocognitive Disorders: A Qualitative Study of the Psychiatric Residency Training Experience

The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Virtual Screening and Experimental Testing of B1 Metallo-β-lactamase Inhibitors

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