T. Mirzadegan

发表

A Prospective Virtual Screening Study: Enriching Hit Rates and Designing Focus Libraries To Find Inhibitors of PI3Kδ and PI3Kγ.

J. Edwards, K. Damm-Ganamet, S. Bembenek, 2016, Journal of medicinal chemistry.

Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase.

Taraneh Mirzadegan, Klaus Klumpp, S. Tsing, 2008, Journal of medicinal chemistry.

Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction.

Taraneh Mirzadegan, Michael D Hack, Alec D Lebsack, 2017, Journal of medicinal chemistry.

Identification of the Binding Site for a Novel Class of CCR2b Chemokine Receptor Antagonists

Frank Diehl, K. Jarnagin, R. Wilhelm, 2000, The Journal of Biological Chemistry.

3,5-Dihydroxybenzoic Acid, a Specific Agonist for Hydroxycarboxylic Acid 1, Inhibits Lipolysis in Adipocytes

T. Lovenberg, N. Carruthers, Jiejun Wu, 2012, Journal of Pharmacology and Experimental Therapeutics.

Lactate Inhibits Lipolysis in Fat Cells through Activation of an Orphan G-protein-coupled Receptor, GPR81*

F. Kamme, T. Lovenberg, Jiejun Wu, 2009, Journal of Biological Chemistry.

Substitution of Lysine‐181 to Aspartic Acid in the Third Transmembrane Region of the Endothelin (ET) Type B Receptor Selectively Reduces Its High‐Affinity Binding with ET‐3 Peptide

T. Mirzadegan, C. Mauzy, L. Wu, 1992, Journal of cardiovascular pharmacology.

Replacement of lysine‐181 by aspartic acid in the third transmembrane region of endothelin type B receptor reduces its affinity to endothelin peptides and sarafotoxin 6c without affecting G protein coupling

A. Egloff, T. Mirzadegan, G. Zhu, 1992, Journal of cellular biochemistry.

A computational approach yields selective inhibitors of human excitatory amino acid transporter 2 (EAAT2)

M. Rives, K. Damm-Ganamet, H. Mcallister, 2020, The Journal of Biological Chemistry.

Azulenic retinoids: novel nonbenzenoid aromatic retinoids with anticancer activity.

J. Bertram, T. Mirzadegan, M. Hossain, 1993, Journal of medicinal chemistry.

Beyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2

S. Bembenek, T. Mirzadegan, M. Rosen, 2019, ACS omega.

Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV (μ-TRTX-Hh2a)

A. Gibbs, S. Sutton, A. Shih, 2013, The Journal of Biological Chemistry.

Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.

S. Bembenek, T. Mirzadegan, M. Rosen, 2010, ACS medicinal chemistry letters.

Pharmacological characterization of 1-(5-chloro-6-(trifluoromethoxy)-1H-benzoimidazol- 2-yl)-1H-pyrazole-4-carboxylic acid (JNJ-42041935), a potent and selective HIF prolyl hydroxylase (PHD) inhibitor

S. Bembenek, T. Mirzadegan, M. Rosen, 2011 .

Pharmacological Characterization of 1-(5-Chloro-6-(trifluoromethoxy)-1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic Acid (JNJ-42041935), a Potent and Selective Hypoxia-Inducible Factor Prolyl Hydroxylase Inhibitor

S. Bembenek, T. Mirzadegan, M. Rosen, 2011, Molecular Pharmacology.

D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Rommie E. Amaro, M. Gilson, W. P. Walters, 2019, Journal of Computer-Aided Molecular Design.

A Single Amino Acid Difference between Mouse and Human 5-Lipoxygenase Activating Protein (FLAP) Explains the Speciation and Differential Pharmacology of Novel FLAP Inhibitors*

M. Milla, T. Mirzadegan, M. Hack, 2016, The Journal of Biological Chemistry.

Chimeric, mutant orexin receptors show key interactions between orexin receptors, peptides and antagonists.

P. Bonaventure, C. Dvorak, T. Lovenberg, 2011, European journal of pharmacology.

Identification of Structural Motifs Critical for Epstein-Barr Virus-Induced Molecule 2 Function and Homology Modeling of the Ligand Docking Site

T. Lovenberg, Jiejun Wu, Xia V. Yang, 2012, Molecular Pharmacology.

Study of GPR81, the Lactate Receptor, from Distant Species Identifies Residues and Motifs Critical for GPR81 Functions

T. Lovenberg, Jiejun Wu, Changlu Liu, 2011, Molecular Pharmacology.

Study of GPR 81 , the Lactate Receptor , from Distant Species Identifies Residues and Motifs Critical for GPR 81 Functions

T. Lovenberg, Jiejun Wu, Changlu Liu, 2011 .

Substrate-dependent inhibition or stimulation of HIV RNase H activity by non-nucleoside reverse transcriptase inhibitors (NNRTIs).

Y. Li, T. Mirzadegan, N. Cammack, 2007, Biochemical and biophysical research communications.

CI-1017, a functionally M1-selective muscarinic agonist: design, synthesis, and preclinical pharmacology.

M. Emmerling, S. Barrett, H. Tecle, 2000, Pharmaceutica acta Helvetiae.

Identification of residues in the monocyte chemotactic protein-1 that contact the MCP-1 receptor, CCR2.

K. Jarnagin, S. Hemmerich, T. Handel, 1999, Biochemistry.

Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Y. Li, W. Huber, T. Mirzadegan, 2008, Bioorganic & medicinal chemistry letters.

Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism.

T. Mirzadegan, Tara Mirzadegan, Ralph N Harris, 2010, Bioorganic & medicinal chemistry letters.

Rational design of 6-methylsulfonylindoles as selective cyclooxygenase-2 inhibitors.

C. Broka, C. Ramesha, M. Browner, 2004, Bioorganic & medicinal chemistry letters.

Recent progress in the design of small molecule inhibitors of HIV RNase H.

T. Mirzadegan, K. Klumpp, 2006, Current pharmaceutical design.

The doubly hindered 7,11-dicis, 7,9,11-tricis, 7,11,13-tricis and all-cis isomers of retinonitrile and retinal☆

T. Mirzadegan, Robert S. H. Liu, A. Trehan, 1990 .

Study of the shape of the binding site of bovine opsin using 10-substituted retinal isomers.

F. Crescitelli, T. Mirzadegan, W. Ripka, 1986, Biochemistry.

Chapter 3 Probing the visual pigment rhodopsin and its analogs by molecular modeling analysis and computer graphics

T. Mirzadegan, Robert S. H. Liu, 1991 .

A study of the binding site requirements of rhodopsin using isomers of α-retinal and 5-substituted α-retinal analogs

T. Mirzadegan, K. Seff, Bao-wen Zhang, 1989 .

Isomers, visual pigment, and bacteriorhodopsin analogs of 3,7,13-trimethyl-10-isopropyl-2,4,6,8,10-tetradecapentaenal and 3,7,11-trimethyl-10-isopropyl-2,4,6,8,10-dodecapentaenal (two ring open retinal analogs)

T. Mirzadegan, Robert S. H. Liu, M. Denny, 1989 .

Possible role of the 11-cis-retinyl conformation in controlling the dual decay processes of excited rhodopsin.

T. Mirzadegan, Robert S. H. Liu, G. Hammond, 2005, Proceedings of the National Academy of Sciences of the United States of America.

MODELING RHODOPSIN, A MEMBER OF G‐PROTEIN COUPLED RECEPTORS, BY COMPUTER GRAPHICS. INTERPRETATION OF CHEMICAL SHIFTS OF FLUORINATED RHODOPSINS

C. Humblet, T. Mirzadegan, Robert S. H. Liu, 1992, Photochemistry and photobiology.

Recent Advances in the Synthesis of Retinoids and Visual Pigment Analogs Studies

T. Mirzadegan, Robert S. H. Liu, A. Trehan, 1989 .

New Geometric Isomers of Vitamin A. Part 17. The Doubly Hindered 7,11-Dicis, 7,9,11-Tricis, 7,11,13-Tricis and All-cis Isomers of Retinonitrile and Retinal.

T. Mirzadegan, Robert S. H. Liu, A. Trehan, 1990 .

The shape of a three-dimensional binding site of rhodopsin based on molecular modeling analyses of isomeric and other visual pigment analogues: bioorganic studies of visual pigments. XI

T. Mirzadegan, Robert S. H. Liu, 1988 .

(±)-1-Azabicyclo[2.2.1]heptan-3-one, O-(3-methyl-5-aryl-2-penten-4-ynyl) oximes: Potent muscarinic agonists

M. Brann, T. Mirzadegan, J. Jaén, 1995 .

Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks.

R. DesJarlais, D. M. Chung, T. Mirzadegan, 2021, ACS medicinal chemistry letters.

Mutations of aspartate 103 in the Hm2 receptor and alterations in receptor binding properties of muscarinic agonists.

H. Tecle, T. Mirzadegan, J. Jaén, 1995, Life sciences.

Synthesis and SAR of bulky 1-azabicyclo[2.2.1]-3-one oximes as muscarinic receptor subtype selective agonists.

H. Tecle, T. Mirzadegan, W. Moos, 1993, Life sciences.

A rationale for the design and synthesis of m1 selective muscarinic agonists.

H. Tecle, T. Mirzadegan, W. Moos, 1992 .

Sequence analyses of G-protein-coupled receptors: similarities to rhodopsin.

Krzysztof Palczewski, Gil Benkö, Sławomir Filipek, 2003, Biochemistry.

Z-(±)-1-azabicyclo[2.2.1]heptan-3-one, O-(3-aryl-2-propynyl) oximes as potential m1-subtype selective muscarinic agonists

S. Barrett, T. Mirzadegan, J. Jaén, 1995 .

Dynamic Structural Differences between Human and Mouse STING Lead to Differing Sensitivity to DMXAA.

A. Shih, K. Damm-Ganamet, T. Mirzadegan, 2018, Biophysical journal.

Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery.

R. DesJarlais, A. Shih, K. Damm-Ganamet, 2020, Journal of medicinal chemistry.

Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry

John J. M. Wiener, Nidhi Arora, James P Edwards, 2019, J. Chem. Inf. Model..

D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

Huanwang Yang, Stephen K. Burley, W. Patrick Walters, 2018, Journal of Computer-Aided Molecular Design.

Chapter 30. Three-dimensional Models of G-Protein Coupled Receptors

C. Humblet, T. Mirzadegan, 1992 .

Molecular Interactions of CCR5 with Major Classes of Small-Molecule Anti-HIV CCR5 Antagonists

Jun Zhang, Jun Zhang, D. Rotstein, 2008, Molecular Pharmacology.

Crystal structure of phenylmethanesulfonyl fluoride-treated human chymase at 1.9 A.

M. Mcgrath, T. Mirzadegan, B. Schmidt, 1997, Biochemistry.

Impact of Protein Preparation on Resulting Accuracy of FEP Calculations

Taraneh Mirzadegan, Amy Y Shih, Michael Hack, 2020, J. Chem. Inf. Model..

Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation.

A. Shih, T. Mirzadegan, A. Saha, 2018, Journal of chemical theory and computation.

Design and synthesis of m1-selective muscarinic agonists: (R)-(-)-(Z)-1-Azabicyclo[2.2.1]heptan-3-one, O-(3-(3'-methoxyphenyl)-2-propynyl)oxime maleate (CI-1017), a functionally m1-selective muscarinic agonist.

M. Brann, S. Barrett, H. Tecle, 1998, Journal of medicinal chemistry.

Functional Studies of Interaction Between Huwentoxin-IV and Voltage-Gated Sodium Channel Nav1.7

S. Edavettal, A. Shih, S. Bembenek, 2012 .

Docking ligands in the receptor cavity: What have we learned?

Christine Humblet, E. A. Lunney, C. Humblet, 1993 .

Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.

Xianfeng Lin, Taraneh Mirzadegan, Klaus Klumpp, 2010, Bioorganic & medicinal chemistry letters.

Molecular Interactions of CCR5 with Major Classes of Small-Molecule Anti-HIV CCR5 Antagonists

Jun Zhang, Jun Zhang, D. Rotstein, 2008, Molecular Pharmacology.

Lactams as EP4 prostanoid receptor agonists. 3. Discovery of N-ethylbenzoic acid 2-pyrrolidinones as subtype selective agents.

T. Mirzadegan, K. A. Walker, R. Hendricks, 2004, Journal of medicinal chemistry.

Library Enhancement through the Wisdom of Crowds

Dimitris K. Agrafiotis, Dmitrii N. Rassokhin, Andrew Skalkin, 2011, J. Chem. Inf. Model..

3,5-Dihydroxybenzoic Acid, a Specific Agonist for Hydroxycarboxylic Acid 1, Inhibits Lipolysis in Adipocytes

T. Lovenberg, N. Carruthers, Jiejun Wu, 2012, Journal of Pharmacology and Experimental Therapeutics.

An Analysis of Different Components of a High-Throughput Screening Library

Taraneh Mirzadegan, Arjun Saha, Teena Varghese, 2018, J. Chem. Inf. Model..

Computational chemistry at Janssen

Herman van Vlijmen, Tara Mirzadegan, Renee L. DesJarlais, 2017, Journal of Computer-Aided Molecular Design.

Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase.

S. Tsing, T. Mirzadegan, S. Harris, 2008, Journal of medicinal chemistry.

Identification of Structural Motifs Critical for Epstein-Barr Virus-Induced Molecule 2 Function and Homology Modeling of the Ligand Docking Site

T. Lovenberg, Jiejun Wu, Xia V. Yang, 2012, Molecular Pharmacology.