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Generative Network Complex for the Automated Generation of Drug-like Molecules

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5682-5698

2020

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Receptor-Mediated Delivery of CRISPR-Cas9 Endonuclease for Cell-Type-Specific Gene Editing

Journal of the American Chemical Society, 2018-05, Vol.140 (21), p.6596-6603

2018

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Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates

Letters in drug design & discovery, 2023-01, Vol.20 (9), p.1372-1379

2023

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Discovery and Preclinical Characterization of 6‑Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]‑1H‑indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy

Journal of medicinal chemistry, 2016-09, Vol.59 (17), p.8068-8081

2016

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Crystal structure of human lysosomal acid lipase and its implications in cholesteryl ester storage disease[S]

Journal of lipid research, 2020-08, Vol.61 (8), p.1192-1202

2020

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Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK)

Journal of medicinal chemistry, 2017-09, Vol.60 (18), p.7835-7849

2017

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Medicinal chemistry design principles for liver targeting through OATP transporters

Current topics in medicinal chemistry, 2013-04, Vol.13 (7), p.857-866

2013

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Development of a computational approach to predict blood-brain barrier permeability

Drug metabolism and disposition, 2004-01, Vol.32 (1), p.132-139

2004

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Strategies for skeletal muscle targeting in drug discovery

Current pharmaceutical design, 2015-01, Vol.21 (10), p.1327-1336

2015

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The design and synthesis of indazole and pyrazolopyridine based glucokinase activators for the treatment of Type 2 diabetes mellitus

Bioorganic & medicinal chemistry letters, 2012-12, Vol.22 (23), p.7100-7105

2012

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Discovery of a Series of 6,7-Dimethoxy-4-pyrrolidylquinazoline PDE10A Inhibitors

Journal of medicinal chemistry, 2007-01, Vol.50 (2), p.182-185

2007

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Expression and functional characterization of human lysosomal acid lipase gene (LIPA) mutation responsible for cholesteryl ester storage disease (CESD) phenotype

Protein expression and purification, 2015-06, Vol.110, p.22-29

2015

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Pyridones as glucokinase activators: Identification of a unique metabolic liability of the 4-sulfonyl-2-pyridone heterocycle

Bioorganic & medicinal chemistry letters, 2009-06, Vol.19 (12), p.3247-3252

2009

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Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2

Bioorganic & medicinal chemistry letters, 2010-04, Vol.20 (7), p.2383-2388

2010

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Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

Journal of chemical information and modeling, 2012-05, Vol.52 (5), p.1114-1123

2012

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A novel series of glucagon receptor antagonists with reduced molecular weight and lipophilicity

Bioorganic & medicinal chemistry letters, 2012-01, Vol.22 (1), p.415-420

2012

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Intrinsic electrophilicity of the 4-methylsulfonyl-2-pyridone scaffold in glucokinase activators: Role of glutathione- S-transferases and in vivo quantitation of a glutathione conjugate in rats

Bioorganic & medicinal chemistry letters, 2010-11, Vol.20 (21), p.6262-6267

2010

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Are 2D fingerprints still valuable for drug discovery?

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (16), p.8373-839

2020

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The hydrophobic tunnel present in LOX-1 is essential for oxidized LDL recognition and binding

Journal of lipid research, 2009-03, Vol.50 (3), p.546-555

2009

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TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics

Journal of chemical information and modeling, 2022-02, Vol.62 (4), p.785-800

2022

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Synthesis of the CETP Inhibitor Torcetrapib: The Resolution Route and Origin of Stereoselectivity in the Iminium Ion Cyclization

Organic process research & development, 2006-05, Vol.10 (3), p.464-471

2006

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Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein–Ligand Complexes using ab Initio Calculations

Journal of chemical information and modeling, 2019-10, Vol.59 (10), p.4195-4208

2019

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Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate

Nature structural & molecular biology, 2022-07, Vol.29 (7), p.628-638

2022

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Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor

Journal of the American Chemical Society, 2017-03, Vol.139 (9), p.3528-3536

2017

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Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose

Journal of medicinal chemistry, 2020-11, Vol.63 (22), p.13546-13560

2020

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Generative Network Complex for the Automated Generation of Drug-like Molecules

Receptor-Mediated Delivery of CRISPR-Cas9 Endonuclease for Cell-Type-Specific Gene Editing

Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates

Discovery and Preclinical Characterization of 6‑Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]‑1H‑indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy

Crystal structure of human lysosomal acid lipase and its implications in cholesteryl ester storage disease[S]

Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK)

Medicinal chemistry design principles for liver targeting through OATP transporters

Development of a computational approach to predict blood-brain barrier permeability

Strategies for skeletal muscle targeting in drug discovery

The design and synthesis of indazole and pyrazolopyridine based glucokinase activators for the treatment of Type 2 diabetes mellitus

Discovery of a Series of 6,7-Dimethoxy-4-pyrrolidylquinazoline PDE10A Inhibitors

Expression and functional characterization of human lysosomal acid lipase gene (LIPA) mutation responsible for cholesteryl ester storage disease (CESD) phenotype

Pyridones as glucokinase activators: Identification of a unique metabolic liability of the 4-sulfonyl-2-pyridone heterocycle

Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2

Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

A novel series of glucagon receptor antagonists with reduced molecular weight and lipophilicity

Intrinsic electrophilicity of the 4-methylsulfonyl-2-pyridone scaffold in glucokinase activators: Role of glutathione- S-transferases and in vivo quantitation of a glutathione conjugate in rats

Are 2D fingerprints still valuable for drug discovery?

The hydrophobic tunnel present in LOX-1 is essential for oxidized LDL recognition and binding

TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics

Synthesis of the CETP Inhibitor Torcetrapib: The Resolution Route and Origin of Stereoselectivity in the Iminium Ion Cyclization

Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein–Ligand Complexes using ab Initio Calculations

Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate

Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor

Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose

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