D. Ortwine

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Cell Viability Cellular Histone Acetylation but Not Kinetic Rate Constants Correlate with Histone Deacetylase ( HDAC ) Inhibitor Cell Biology :

Benjamin E. L. Lauffer, Zora, G. Fedorowicz, 2013 .

Styrylpyrazoles, styrylisoxazoles, and styrylisothiazoles. Novel 5-lipoxygenase and cyclooxygenase inhibitors.

D. Ortwine, D. Flynn, D. T. Connor, 1991, Journal of medicinal chemistry.

Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

David L. Mobley, John D. Chodera, Daniel F. Ortwine, 2016 .

Potent, selective, and orally bioavailable inhibitors of mammalian target of rapamycin (mTOR) kinase based on a quaternary substituted dihydrofuropyrimidine.

C. Ly, S. Sideris, S. Malek, 2011, Journal of medicinal chemistry.

Identification, characterization, and implications of species-dependent plasma protein binding for the oral Hedgehog pathway inhibitor vismodegib (GDC-0449).

Brandon J. Bravo, A. M. Giannetti, H. Wong, 2011, Journal of medicinal chemistry.

The evaluation of 25 chiral stationary phases and the utilization of sub-2.0μm coated polysaccharide chiral stationary phases via supercritical fluid chromatography.

I. Aliagas, D. Ortwine, D. Schmidt, 2013, Journal of chromatography. A.

Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.

Adam R. Johnson, C. Eigenbrot, J. Lubach, 2016, Bioorganic & medicinal chemistry letters.

4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.

Daniel F Ortwine, J. A. Spicer, W. Denny, 2007, Journal of medicinal chemistry.

Potent, selective, and orally bioavailable inhibitors of the mammalian target of rapamycin kinase domain exhibiting single agent antiproliferative activity.

C. Ly, S. Sideris, S. Malek, 2012, Journal of medicinal chemistry.

Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors.

Ewa I. Chudyk, P. McEwan, M. Bodkin, 2016, Journal of medicinal chemistry.

Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).

Adam R. Johnson, S. Bromidge, Lawren C. Wu, 2013, Bioorganic & medicinal chemistry letters.

Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.

Adam R. Johnson, Lawren C. Wu, C. Eigenbrot, 2014, Bioorganic & medicinal chemistry letters.

Physicochemical and DMPK in silico models: facilitating their use by medicinal chemists.

I. Aliagas, D. Ortwine, 2013, Molecular pharmaceutics.

Crystal structure of GDC-0927 bound to estrogen receptor alpha

Siew K. Yeap, N. C. Ray, Jun Liang, 2019 .

Synthesis and structure-activity relationships of pyrazolo[4,3-d]pyrimidin-7-ones as adenosine receptor antagonists.

H. W. Hamilton, D. Ortwine, J. Bristol, 1987, Journal of medicinal chemistry.

Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability

Benjamin E. L. Lauffer, P. Steiner, Z. Modrušan, 2013, The Journal of Biological Chemistry.

Inhibitors of cholesterol biosynthesis. 1. trans-6-(2-pyrrol-1-ylethyl)-4-hydroxypyran-2-ones, a novel series of HMG-CoA reductase inhibitors. 1. Effects of structural modifications at the 2- and 5-positions of the pyrrole nucleus.

M. Wilson, D. Ortwine, B. Roth, 1990, Journal of medicinal chemistry.

Quinazolinones and pyrido[3,4-d]pyrimidin-4-ones as orally active and specific matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.

R. D. Dyer, Adam R. Johnson, R. Dyer, 2008, Journal of medicinal chemistry.

Adenosine Agonists. Characterization of the N6-Subregion of the Adenosine A2 Receptor via Molecular Modeling Techniques

C. Humblet, A. Bridges, D. Ortwine, 1990 .

Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.

P. McEwan, J. DeVoss, A. Zarrin, 2015, Journal of medicinal chemistry.

Discovery and Characterization of a Novel Inhibitor of Matrix Metalloprotease-13 That Reduces Cartilage Damage in Vivo without Joint Fibroplasia Side Effects*

R. D. Dyer, Adam R. Johnson, Chunhong Yan, 2007, Journal of Biological Chemistry.

Synthesis and antimalarial properties of 1-imino derivatives of 7-chloro-3-substituted-3,4-dihydro-1,9(2H,10H)-acridinediones and related structures.

D. Mcnamara, D. Ortwine, J. Hung, 1992, Journal of medicinal chemistry.

Synthesis of xanthines as adenosine antagonists, a practical quantitative structure-activity relationship application.

H. W. Hamilton, D. Ortwine, R. F. Bruns, 1985, Journal of medicinal chemistry.

A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective mTOR inhibitors.

S. Sideris, S. Malek, J. Lyssikatos, 2013, Bioorganic & medicinal chemistry letters.

Evaluation and synthesis of aminohydroxyisoxazoles and pyrazoles as potential glycine agonists.

D. Ortwine, R. F. Bruns, J. Drummond, 1989, Journal of Medicinal Chemistry.

Novel Series of Achiral, Low Molecular Weight, and Potent HIV-1 Protease Inhibitors

James B. Dunbar, Daniel F. Ortwine, Donna Ferguson, 1994 .

A Rationalization of the Acidic pH Dependence for Stromelysin-1 (Matrix Metalloproteinase-3) Catalysis and Inhibition*

D. Hupe, Andrew D White, A. Pavlovsky, 2000, The Journal of Biological Chemistry.

Benzothiopyranoindazoles, a new class of chromophore modified anthracenedione anticancer agents. Synthesis and activity against murine leukemias.

H. D. Showalter, A. Sercel, D. Ortwine, 1988, Journal of medicinal chemistry.

Substituted 2-benzothiazolamines as sodium flux inhibitors: quantitative structure-activity relationships and anticonvulsant activity.

D. Ortwine, R. Schwarz, P. Boxer, 1994, Journal of pharmaceutical sciences.

Synthesis and antifilarial activity of N-[4-[[4-alkoxy-3-[(dialkylamino)methyl]phenyl]amino]- 2-pyrimidinyl]-N'-phenylguanidines.

D. Ortwine, J. Mccall, D. Worth, 1983, Journal of medicinal chemistry.

N2-1H-benzimidazol-2-yl-N4-phenyl-2,4-pyrimidinediamines and N2-1H-benzimidazol-2-yl-5,6,7,8-tetrahydro-N4-phenyl-2,4-quinazolinediamines as potential antifilarial agents.

D. Ortwine, D. Worth, L. M. Werbel, 1983, Journal of medicinal chemistry.

Synthesis and antimalarial effects of N2-aryl-N4-[(dialkylamino)alkyl]- and N4-aryl-N2-[(dialkylamino)alkyl]-2,4-quinazolinediamines.

D. Ortwine, J. Johnson, E. Elslager, 1981, Journal of medicinal chemistry.

Inhibitors of cholesterol biosynthesis. 3. Tetrahydro-4-hydroxy-6-[2-(1H-pyrrol-1-yl)ethyl]-2H-pyran-2-one inhibitors of HMG-CoA reductase. 2. Effects of introducing substituents at positions three and four of the pyrrole nucleus.

C J Blankley, C. J. Blankley, D. Ortwine, 1991, Journal of medicinal chemistry.

Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.

Adam R. Johnson, BinQing Wei, C. Eigenbrot, 2018, Journal of medicinal chemistry.

Discovery of Potent and Selective Tricyclic Inhibitors of Bruton’s Tyrosine Kinase with Improved Druglike Properties

Adam R. Johnson, C. Eigenbrot, J. Lubach, 2017, ACS medicinal chemistry letters.

Evaluation and synthesis of aminohydroxyisoxazoles and pyrazoles as potential glycine agonists.

D. Ortwine, R. F. Bruns, J. Drummond, 1989, Journal of medicinal chemistry.

Structure based design of an in vivo active hydroxamic acid inhibitor of P. aeruginosa LpxC.

J. Warmus, J. Bronstein, S. Murphy, 2012, Bioorganic & medicinal chemistry letters.

Exploration of N-phosphonoalkyl-, N-phosphonoalkenyl-, and N-(phosphonoalkyl)phenyl-spaced alpha-amino acids as competitive N-methyl-D-aspartic acid antagonists.

D. Ortwine, F. Marcoux, C. Bigge, 1992, Journal of medicinal chemistry.

Generation of N-methyl-D-aspartate agonist and competitive antagonist pharmacophore models. Design and synthesis of phosphonoalkyl-substituted tetrahydroisoquinolines as novel antagonists.

C. Humblet, D. Ortwine, C. Bigge, 1992, Journal of medicinal chemistry.

4-Phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione inhibitors of the checkpoint kinase Wee1. Structure-activity relationships for chromophore modification and phenyl ring substitution.

Daniel F Ortwine, Elizabeth A Lunney, W. Denny, 2006, Journal of medicinal chemistry.

Stereoselective binding of an enantiomeric pair of stromelysin-1 inhibitors caused by conformational entropy factors.

E. Lunney, D. Ortwine, P. McConnell, 2000, Bioorganic & medicinal chemistry letters.

Styrylpyrazoles, Styrylisoxazoles, and Styrylisothiazoles. Novel 5‐ Lipoxygenase and Cyclooxygenase Inhibitors.

D. Ortwine, D. Flynn, D. T. Connor, 1991 .

Potent, orally active, competitive N-methyl-D-aspartate (NMDA) receptor antagonists are substrates for a neutral amino acid uptake system in Chinese hamster ovary cells.

R. M. Williamson, D. Ortwine, C. Bigge, 1995, Journal of medicinal chemistry.

Ring expansion and photochemical ring contraction reactions of tetrahydropyridazinones

D. Ortwine, M. C. Carter, S. Chou, 1977 .

Structure-activity relationships and pharmacokinetic analysis for a series of potent, systemically available biphenylsulfonamide matrix metalloproteinase inhibitors.

L. Johnson, A. Pavlovsky, R. Dyer, 2000, Journal of medicinal chemistry.

Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.

Adam R. Johnson, P. McEwan, A. Zarrin, 2014, Journal of medicinal chemistry.

Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

David L. Mobley, John D. Chodera, Daniel F. Ortwine, 2016, bioRxiv.

N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine and its uronamide derivatives. Novel adenosine agonists with both high affinity and high selectivity for the adenosine A2 receptor.

A. Bridges, D. Ortwine, B. K. Trivedi, 1988, Journal of medicinal chemistry.

Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations.

Adam R. Johnson, C. Eigenbrot, A. Estevez, 2016, ACS chemical biology.

Cryo-EM reveals an unprecedented binding site for NaV1.7 inhibitors enabling rational design of potent hybrid inhibitors

M. Volgraf, A. Rohou, C. Arthur, 2022, bioRxiv.

Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNaV1.7 Inhibitors for the Treatment of Pain.

D. Sutherlin, D. Hackos, A. D. White, 2018, Journal of medicinal chemistry.

Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist

Jun Li, Christine Tam, Daniel F. Ortwine, 2015, Science.

Structure- and Ligand-Based Discovery of Chromane Arylsulfonamide Nav1.7 Inhibitors for the Treatment of Chronic Pain.

D. Sutherlin, Jun Chen, D. Hackos, 2019, Journal of medicinal chemistry.

Identification of Selective Acyl Sulfonamide-Cycloalkylether Inhibitors of the Voltage-Gated Sodium Channel (NaV) 1.7 with Potent Analgesic Activity.

Benjamin D. Sellers, D. Sutherlin, D. Hackos, 2018, Journal of medicinal chemistry.

GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.

Siew K. Yeap, N. C. Ray, Jun Liang, 2021, Journal of medicinal chemistry.

Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.

Jun Liang, P. Trojer, R. Cummings, 2016, Bioorganic & medicinal chemistry letters.

From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.

Jun Liang, P. Trojer, Y. Ran, 2017, Bioorganic & medicinal chemistry letters.

Lead optimization of a pyrazolo[1,5-a]pyrimidin-7(4H)-one scaffold to identify potent, selective and orally bioavailable KDM5 inhibitors suitable for in vivo biological studies.

Jun Liang, P. Trojer, R. Cummings, 2016, Bioorganic & medicinal chemistry letters.

X-ray structure of a hydroxamate inhibitor complex of stromelysin catalytic domain and its comparison with members of the zinc metalloproteinase superfamily.

T L Blundell, T. Blundell, C. Humblet, 1996, Structure.

Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK).

Adam R. Johnson, P. McEwan, A. Zarrin, 2014, Bioorganic & medicinal chemistry letters.

Cholecystokinin B antagonists. Synthesis and quantitative structure-activity relationships of a series of C-terminal analogues of CI-988.

B K Trivedi, D. Ortwine, B. Roth, 1996, Bioorganic & medicinal chemistry.

Synthesis of 1,4,7,8,9,10-hexahydro-9-methyl-6-nitropyrido[3,4-f]- quinoxaline-2,3-dione and related quinoxalinediones: characterization of alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (and N-methyl-D-aspartate) receptor and anticonvulsant activity.

D. Ortwine, C. Bigge, P. Boxer, 1995, Journal of medicinal chemistry.

Adenosine Receptor Agonists. X-Ray Crystal Structure of Neca 1-(6-Amino-9H-Purin-9-Yl)-1-Deoxy-N-Ethyl-β-D-Ribofuranuronamide

H. W. Hamilton, A. McPhail, W. Moos, 1989 .

Potent and selective Bruton's tyrosine kinase inhibitors: discovery of GDC-0834.

S. Hymowitz, J. Lubach, K. Reif, 2015, Bioorganic & medicinal chemistry letters.

Design and synthesis of novel quinoxaline-2,3-dione AMPA/GlyN receptor antagonists: amino acid derivatives.

A. Blackburn, T. Heimbach, D. Ortwine, 1999, Journal of medicinal chemistry.

Pyrimidoaminotropanes as potent, selective, and efficacious small molecule kinase inhibitors of the mammalian target of rapamycin (mTOR).

S. Sideris, L. Friedman, S. Malek, 2013, Journal of medicinal chemistry.

Discovery and Biological Profiling of Potent and Selective mTOR Inhibitor GDC-0349.

M. Belvin, C. Ly, S. Sideris, 2013, ACS medicinal chemistry letters.

Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists.

N. Barta, D. Ortwine, David L. Gray, 2010, Bioorganic & Medicinal Chemistry Letters.

X-RAY STRUCTURE OF GELATINASE A CATALYTIC DOMAIN COMPLEXED WITH A HYDROXAMATE INHIBITOR

Tom L. Blundell, Christine Humblet, Daniel F. Ortwine, 1999 .

Analysis of the binding of hydroxamic acid and carboxylic acid inhibitors to the stromelysin-1 (matrix metalloproteinase-3) catalytic domain by isothermal titration calorimetry.

C. Humblet, E. Lunney, A. Pavlovsky, 1999, Biochemistry.

Discovery of GNE-502 as an Orally Bioavailable and Potent Degrader for Estrogen Receptor Positive Breast Cancer.

Jun Liang, Y. Ran, L. Friedman, 2021, Bioorganic & medicinal chemistry letters.

Water molecules in protein–ligand interfaces. Evaluation of software tools and SAR comparison

Yong Tang, Eva Nittinger, Paul Gibbons, 2019, Journal of Computer-Aided Molecular Design.

Effect of Species Differences on Stromelysin-1 (MMP-3) Inhibitor Potency

Jing Chen, A. Pavlovsky, D. Ortwine, 1999, The Journal of Biological Chemistry.

GDC-9545 in complex with estrogen receptor alpha

M. Vinogradova, J. Kiefer, D. Ortwine, 2021 .

Discovery of Acyl-sulfonamide Nav1.7 Inhibitors GDC-0276 and GDC-0310.

D. Sutherlin, Jun Chen, D. Hackos, 2021, Journal of medicinal chemistry.

Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.

Jun Liang, J. Nwachukwu, K. Nettles, 2019, Bioorganic & medicinal chemistry letters.

cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.

Jun Liang, D. Ortwine, Yanzhou Liu, 2019, Organic & biomolecular chemistry.

SYNTHESIS OF XANTHINES AS ADENOSINE ANTAGONISTS, A PRACTICAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP APPLICATION

H. W. Hamilton, D. Ortwine, R. F. Bruns, 1985 .

An integrated suite of modeling tools that empower scientists in structure- and property-based drug design

Jeffrey M. Blaney, Philippe Bergeron, Man-Ling Lee, 2015, Journal of Computer-Aided Molecular Design.

A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery

Man-Ling Lee, Ignacio Aliagas, Timothy Heffron, 2015, Journal of Computer-Aided Molecular Design.

Synthesis, antimalarial activity, and quantitative structure-activity relationships of tebuquine and a series of related 5-[(7-chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl] [1,1'-biphenyl]-2-ols and N omega-oxides.

P. D. Cook, D. Mcnamara, D. Ortwine, 1986, Journal of medicinal chemistry.

Series on Antimalarial Drugs. Part 60. Synthesis, Antimalarial Activity and Quantitative Structure-Activity Relationships of Tebuquine and a Series of Related 5-[(7-Chloro-4-quinolinyl)aminol-3-[(alkylamino)methyl][1,1′-biphenyl]-2-ol

P. D. Cook, D. Mcnamara, D. Ortwine, 1986 .

Mechanism-specific assay design facilitates the discovery of Nav1.7-selective inhibitors

D. Sutherlin, Tianbo Li, Jun Chen, 2018, Proceedings of the National Academy of Sciences.

Distribution of tacrine and metabolites in rat brain and plasma after single- and multiple-dose regimens. Evidence for accumulation of tacrine in brain tissue.

D. Ortwine, T. Woolf, W. Pool, 1996, Drug metabolism and disposition: the biological fate of chemicals.

Synthesis and pharmacological evaluation of 4a-phenanthrenamine derivatives acting at the phencyclidine binding site of the N-methyl-D-aspartate receptor complex.

D. Ortwine, C. Bigge, S. Hays, 1993, Journal of medicinal chemistry.

Synthesis and biological activity of conformationally constrained 4a-phenanthreneamine derivatives as noncompetitive NMDA antagonists

D. Ortwine, A. Probert, G. Johnson, 1993 .

Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.

W. Denny, E. Lunney, E. Baker, 2008, European journal of medicinal chemistry.

X‐ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: Implications for inhibitor selectivity

T. Blundell, M. Williams, C. Humblet, 1999, Protein science : a publication of the Protein Society.

Synthesis of potential antifilarial agents. 1-(5-Benzoylbenzimidazol-2-yl)-3-alkyl- and -arylureas.

D. Ortwine, J. Mccall, L. Townsend, 1984, Journal of Medicinal Chemistry.

SYNTHESIS OF POTENTIAL ANTIFILARIAL AGENTS. 1. 1-(5-BENZOYLBENZIMIDAZOL-2-YL)-3-ALKYL AND ARYL UREAS

D. Ortwine, J. Mccall, L. Townsend, 1984 .

Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.

Siew K. Yeap, N. C. Ray, Jun Liang, 2019, Bioorganic & medicinal chemistry letters.

Structure-activity relationships and pharmacokinetic analysis for a series of potent, systemically available biphenylsulfonamide matrix metalloproteinase inhibitors.

R. D. Dyer, D. Ortwine, D. Sliskovic, 2000, Journal of Medicinal Chemistry.

Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors.

Ewa I. Chudyk, P. McEwan, M. Bodkin, 2016, Journal of medicinal chemistry.

53 Pyrrolo[3,4-c]carbazole-1,3-dione inhibitors of the G2/M checkpoint kinase wee1

W. Denny, A. M. Thompson, A. Kraker, 2004 .