I. Enyedy

发表

Pharmacophore-based discovery of substituted pyridines as novel dopamine transporter inhibitors.

Kenneth M. Johnson, Shaomeng Wang, I. Enyedy, 2003, Bioorganic & medicinal chemistry letters.

Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening.

I. Enyedy, Y. Tomita, P. Roller, 2001, Journal of medicinal chemistry.

Virtual screening for kinase targets.

I. Muegge, I. Enyedy, 2004, Current medicinal chemistry.

Computational solvent mapping in structure-based drug design.

D. Hall, I. Enyedy, 2015, Future medicinal chemistry.

Iridals are a novel class of ligands for phorbol ester receptors with modest selectivity for the RasGRP receptor subfamily.

I. Enyedy, P. Blumberg, J. Stone, 2001, Journal of medicinal chemistry.

Structural basis of binding of high-affinity ligands to protein kinase C: prediction of the binding modes through a new molecular dynamics method and evaluation by site-directed mutagenesis.

I. Enyedy, P. Blumberg, S. Wang, 2001, Journal of medicinal chemistry.

Structural Basis of Binding of High-Affinity Ligands to Protein Kinase C: Prediction of the Binding Modes Through a New Molecular Dynamics Method and Evaluation by Site-Directed Mutagenesis.

Youngshang Pak, I. Enyedy, Shaomeng Wang, 2001 .

Identification and Biochemical Characterization of Small-Molecule Inhibitors of Clostridium botulinum Neurotoxin Serotype A

Leonard A. Smith, I. Enyedy, David C. H. Yang, 2009, Antimicrobial Agents and Chemotherapy.

Structure-based design of low-nanomolar PIM kinase inhibitors.

L. Silvian, I. Enyedy, B. Elenbaas, 2015, Bioorganic & medicinal chemistry letters.

SAR of a novel 'Anthranilamide Like' series of VEGFR-2, multi protein kinase inhibitors for the treatment of cancer.

L. Perkins, I. Enyedy, Antonella Bacchiocchi, 2007, Bioorganic & medicinal chemistry letters.

Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.

I. Enyedy, Janaky Coomaraswamy, J. Jones, 2021, Journal of medicinal chemistry.

Use of Solvent Mapping for Characterizing the Binding Site and for Predicting the Inhibition of the Human Ether-á-Go-Go-Related K+ Channel.

S. Vajda, I. Enyedy, Zhuyezi Sun, 2022, Chemical research in toxicology.

Antisense and small-molecule modulation of diacylglycerol acyltransferase

I. Enyedy, T. Gilmore, B. Hubbard, 2007 .

Identification and experimental confirmation of novel cGMP efflux inhibitors by virtual ligand screening of vardenafil-analogues.

A. Ravna, I. Enyedy, G. Sager, 2020, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.

I. Enyedy, J. Jones, J. Santoro, 2020, ACS medicinal chemistry letters.

3,5-diarylazoles as novel and selective inhibitors of protein kinase D.

I. Enyedy, T. McKinsey, N. Pagratis, 2011, Bioorganic & medicinal chemistry letters.

Discovery of substituted 3,4-diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol.

Kenneth M. Johnson, Shaomeng Wang, I. Enyedy, 2002, Bioorganic & medicinal chemistry letters.

Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.

I. Enyedy, G. Xiao, B. Lucas, 2019, Bioorganic & medicinal chemistry letters.

Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance.

I. Enyedy, M. Kaliszczak, Mark W Kankel, 2022, ACS medicinal chemistry letters.

Alternate Pathways for Acetic Acid and Acetate ion Release from Acetylcholinesterase: a Molecular Dynamics Study

B. Brooks, I. Enyedy, I. Kovach, 1998 .

Alternate Pathways for Acetic Acid and Acetate Ion Release from Acetylcholinesterase

I. Enyedy, I. Kovach, 1998 .

Identification of orally available naphthyridine protein kinase D inhibitors.

I. Enyedy, T. McKinsey, Margaret R Pancost, 2010, Journal of medicinal chemistry.

Pharmacophore-based discovery of 3,4-disubstituted pyrrolidines as a novel class of monoamine transporter inhibitors.

I. Enyedy, S. Sakamuri, W. Zaman, 2001, Bioorganic & medicinal chemistry letters.

Structural basis of RasGRP binding to high-affinity PKC ligands.

I. Enyedy, Shaomeng Wang, P. Blumberg, 2002, Journal of medicinal chemistry.

EC144 is a potent inhibitor of the heat shock protein 90.

S. Kasibhatla, I. Enyedy, C. Ambrose, 2012, Journal of medicinal chemistry.

In silico prediction of hERG inhibition.

Istvan J Enyedy, Yankang Jing, I. Enyedy, 2015, Future medicinal chemistry.

Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.

Joachim Kraemer, Deping Wang, Dirk Winkler, 2013, Bioorganic & medicinal chemistry.

Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase.

I. Enyedy, R. Dickson, S. Wang, 2001, Journal of medicinal chemistry.

2,3-Disubstituted quinuclidines as a novel class of dopamine transporter inhibitors.

Kenneth M. Johnson, J. Flippen-Anderson, I. Enyedy, 2003, Bioorganic & medicinal chemistry.

Molecular modeling, structure--activity relationships and functional antagonism studies of 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketones as a novel class of dopamine transporter inhibitors.

I. Enyedy, S. Sakamuri, W. Zaman, 2001, Bioorganic & medicinal chemistry.

Can we use docking and scoring for hit-to-lead optimization?

Istvan J. Enyedy, William J. Egan, W. Egan, 2008, J. Comput. Aided Mol. Des..

Elucidation of the GSK3α Structure Informs the Design of Novel, Paralog-Selective Inhibitors

I. Enyedy, O. Golonzhka, Ti Wang, 2023, ACS chemical neuroscience.

Human PLD structures enable drug design and characterization of isoenzyme selectivity

I. Enyedy, Michael L. Cullivan, J. Santoro, 2020, Nature Chemical Biology.

Pharmacophore-based discovery, synthesis, and biological evaluation of 4-phenyl-1-arylalkyl piperidines as dopamine transporter inhibitors.

I. Enyedy, S. Sakamuri, W. Zaman, 2001, Bioorganic & medicinal chemistry letters.

Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants.

I. Enyedy, Á. Bencsura, I. Kovach, 2001, The Biochemical journal.

Origins and diversity of the aging reaction in phosphonate adducts of serine hydrolase enzymes: what characteristics of the active site do they probe?

I. Enyedy, Á. Bencsura, I. Kovach, 1995, Biochemistry.

Phosphonate Ester Active Site Probes of Acetylcholinesterase, Trypsin and Chymotrypsin

I. Enyedy, Á. Bencsura, C. Viragh, 1995 .

Synthesis and evaluation of the sunflower derived trypsin inhibitor as a potent inhibitor of the type II transmembrane serine protease, matriptase.

I. Enyedy, P. Roller, Y. Long, 2001, Bioorganic & medicinal chemistry letters.

Identification of potent and selective amidobipyridyl inhibitors of protein kinase D.

I. Enyedy, T. McKinsey, D. Lemon, 2010, Journal of medicinal chemistry.

Molecular modeling studies of the Akt PH domain and its interaction with phosphoinositides.

I. Enyedy, G. Powis, Y. Hu, 2001, Journal of medicinal chemistry.

Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction

R. Huganir, K. Rhodes, K. Guckian, 2018, Scientific Reports.

Inhibitors of protein-protein interactions: new methodologies to tackle this challenge.

L. Silvian, I. Enyedy, Gnanasambandam Kumaravel, 2013, Drug discovery today. Technologies.

Discovery of biaryl carboxylamides as potent RORγ inverse agonists.

N. Powell, L. Silvian, I. Enyedy, 2015, Bioorganic & medicinal chemistry letters.

Discovery of novel pyrazole-containing benzamides as potent RORγ inverse agonists.

I. Enyedy, Tina Talreja, T. Bohnert, 2015, Bioorganic & medicinal chemistry letters.

Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester Adducts

I. Enyedy, Á. Bencsura, I. Kovach, 1996 .

Bicyclic Peptide Inhibitors of an Epithelial Cell-Derived Transmembrane Protease, Matriptase

I. Enyedy, Shaomeng Wang, R. Dickson, 2001 .

Discovery of biaryls as RORγ inverse agonists by using structure-based design.

Istvan J Enyedy, N. Powell, L. Silvian, 2016, Bioorganic & medicinal chemistry letters.

Docking and Scoring

Ingo Muegge, Istvan J. Enyedy, I. Muegge, 2003 .

Discovery of a novel dopamine transporter inhibitor, 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, as a potential cocaine antagonist through 3D-database pharmacophore searching. Molecular modeling, structure-activity relationships, and behavioral pharmacological studies.

I. Enyedy, S. Sakamuri, W. Zaman, 2000, Journal of medicinal chemistry.

Rational Design and Optimization of a Novel Class of Macrocyclic ASK1 Inhibitors.

I. Enyedy, J. Jones, Joshua L. Johnson, 2019, Journal of medicinal chemistry.

Molecular modeling and docking studies of the oxytocin receptor.

A. Ravna, I. Enyedy, Gloria Antobreh, 2018, Future medicinal chemistry.

The statistics of virtual screening and lead optimization

Mark McGann, Anthony Nicholls, Istvan J. Enyedy, 2015, Journal of Computer-Aided Molecular Design.

Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening.

I. Enyedy, Y. Tomita, P. Roller, 2001, Journal of medicinal chemistry.

The influence of calculated physicochemical properties of compounds on their ADMET profiles.

I. Enyedy, Shifan Ma, Mark McGann, 2021, Bioorganic & medicinal chemistry letters.

Can we use docking and scoring for hit-to-lead optimization?

W. Egan, I. Enyedy, 2008, J. Comput. Aided Mol. Des..

Molecular modeling and docking studies of the oxytocin receptor.

A. Ravna, I. Enyedy, Gloria Antobreh, 2018, Future medicinal chemistry.

A self-consistent mechanism for dealkylation in soman-inhibited acetylcholinesterase.

I. Enyedy, C. Viragh, I. Kovach, 1997, The Biochemical journal.