R. Unwalla

发表

Quinoline-3-carboxamide containing sulfones as liver X receptor (LXR) agonists with binding selectivity for LXRbeta and low blood-brain penetration.

Anna Wilhelmsson, P. Nambi, M. Evans, 2010, Bioorganic & medicinal chemistry letters.

Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic triglyceride synthesis.

Robert Steffan, Anna Wilhelmsson, T. Bonn, 2008, Journal of medicinal chemistry.

Synthesis of ( R )- and ( S )-α-trifluoromethyl propanoic acids via asymmetric hydrogenation followed by salt resolution

N. Sach, O. Fadeyi, R. Unwalla, 2016 .

Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.

J. Bauman, J. D. Clark, M. Hegen, 2016, ACS chemical biology.

Optimization of 3-(1H-indazol-3-ylmethyl)-1,5-benzodiazepines as potent, orally active CCK-A agonists.

M. K. James, T. Willson, B. Henke, 1997, Journal of medicinal chemistry.

Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.

Mark J. Mitton-Fry, J. D. Clark, M. Hegen, 2018, Journal of medicinal chemistry.

Fluorine in Drug Design: A Case Study with Fluoroanisoles

M. Bunnage, R. Denny, A. Narayanan, 2015, ChemMedChem.

7-Substituted 2-phenyl-benzofurans as ERβ selective ligands

David H. Kaufman, Rayomand J. Unwalla, Eric S. Manas, 2004 .

Further modification on phenyl acetic acid based quinolines as liver X receptor modulators.

Farooq Azam, Anna Wilhelmsson, James Jetter, 2007, Bioorganic & medicinal chemistry.

Discovery of phenyl acetic acid substituted quinolines as novel liver X receptor agonists for the treatment of atherosclerosis.

Christopher Miller, Farooq Azam, Anna Wilhelmsson, 2006, Journal of medicinal chemistry.

Biarylether amide quinolines as liver X receptor agonists.

Anna Wilhelmsson, John Ullrich, P. Nambi, 2009, Bioorganic & medicinal chemistry.

ERβ ligands. Part 6 6H -Chromeno [4,3 -b]quinolines as a new series of estrogen receptor β-selective ligands

Rayomand J. Unwalla, Eric S. Manas, An T. Vu, 2007 .

Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones.

M. Malamas, R. Mcdevitt, H. Harris, 2005, Bioorganic & medicinal chemistry letters.

A force field (MM2) study of 1,2-di-tert-butyl- and 1,2-disilylcyclohexanes

S. Profeta, F. Cartledge, R. Unwalla, 1988 .

Structure and Torsional Potential Function of Allylsilane: Results from MM2 and ab initio Calculations (3-21G(*)).

S. Profeta, F. Cartledge, R. Unwalla, 1986 .

Chlorosilanes: Development and application of MM2 force field parameters

S. Profeta, S. Cho, F. Cartledge, 1989 .

Simple alkyldisilanes: MM2 and ab initio studies of their structures and barriers to rotation

S. Profeta, F. Cartledge, R. Unwalla, 1989 .

Design, synthesis, and preclinical characterization of novel, highly selective indole estrogens.

Chris P. Miller, B. Komm, M. Abou-Gharbia, 2001, Journal of medicinal chemistry.

Development of a molecular mechanics (MM2) force field for α-chlorosilanes

S. Profeta, F. Cartledge, R. Unwalla, 1990 .

6-Azasteroids: Potent Dual Inhibitors of Human Type 1 and 2 Steroid 5. alpha.-Reductase.

M. K. James, S. Frye, T. Tippin, 1994 .

Structure-based design of estrogen receptor-beta selective ligands.

Eric S Manas, T. Akopian, J. Alvarez, 2004, Journal of the American Chemical Society.

7-Substituted 2-phenyl-benzofurans as ER beta selective ligands.

R. Henderson, H. Harris, M. Collini, 2004, Bioorganic & medicinal chemistry letters.

Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.

F. Vajdos, M. Schnute, M. Vazquez, 2023, ACS medicinal chemistry letters.

Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.

David C. Wood, K. Fennell, R. Kurumbail, 2018, Journal of medicinal chemistry.

Phosphodiesterase type IV (PDE IV) inhibition. Synthesis and evaluation of a series of 1,3,4-trisubstituted pyrrolidines

J. Stafford, D. Cowan, P. Domanico, 1995 .

Molecular determinants of ERα and ERβ involved in selectivity of 16α-iodo-17β estradiol

B. Komm, R. Bhat, H. Harris, 2004, The Journal of Steroid Biochemistry and Molecular Biology.

Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain

Mohammad M. Sultan, V. Pande, R. Denny, 2017, bioRxiv.

Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.

J. Bauman, J. Telliez, J. Chrencik, 2018, Journal of medicinal chemistry.

Understanding the selectivity of genistein for human estrogen receptor-beta using X-ray crystallography and computational methods.

Eric S Manas, W. Somers, William S Somers, 2004, Structure.

Molecular and Pharmacological Properties of a Potent and Selective Novel Nonsteroidal Progesterone Receptor Agonist Tanaproget*

C. Lyttle, R. Winneker, Jeff Cohen, 2005, Journal of Biological Chemistry.

Identification of phenylsulfone-substituted quinoxaline (WYE-672) as a tissue selective liver X-receptor (LXR) agonist.

Anna Wilhelmsson, M. Evans, Baihua Hu, 2010, Journal of medicinal chemistry.

Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.

M. Hegen, J. Telliez, J. Chrencik, 2017, Journal of medicinal chemistry.

Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.

Jason M. Edmonds, David R. Anderson, R. Kurumbail, 2014, The Biochemical journal.

Discovery of (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid hydrochloride (GAP-134)13, an orally active small molecule gap-junction modifier for the treatment of atrial fibrillation.

Eric I. Rossman, A. Alimardanov, L. Di, 2009, Journal of medicinal chemistry.

Estrogen receptor beta ligands: design and synthesis of new 2-phenyl-isoindole-1,3-diones.

Robert R. Singhaus, H. Harris, R. Unwalla, 2007, Bioorganic & medicinal chemistry letters.

4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.

Anna Wilhelmsson, P. Nambi, M. Evans, 2010, Bioorganic & medicinal chemistry letters.

Synthesis of 4-(3-biaryl)quinoline sulfones as potent liver X receptor agonists.

Anna Wilhelmsson, James Jetter, P. Nambi, 2010, Bioorganic & medicinal chemistry letters.

ERbeta ligands. Part 6: 6H-Chromeno[4,3-b]quinolines as a new series of estrogen receptor beta-selective ligands.

An T Vu, H. Harris, R. Unwalla, 2007, Bioorganic & medicinal chemistry letters.

Critical evaluation of methods to incorporate entropy loss upon binding in high‐throughput docking

Sumeet Salaniwal, Eric S Manas, J. Alvarez, 2006, Proteins.

A Comparison of the Rotational Potential Functions in Butane, Propylsilane, Ethylmethylsilane, and 1,2‐Disilylethane: Ab Initio and MM2 Results

S. Profeta, F. Cartledge, R. Unwalla, 1986 .

Molecular determinants of ER alpha and ER beta involved in selectivity of 16 alpha-iodo-7 beta estradiol.

B. Komm, R. Bhat, H. Harris, 2004, The Journal of steroid biochemistry and molecular biology.

Conformational analysis of the cis- and trans-1,2-bis(trimethylsilyl)cyclohexanes (BTMSC): molecular mechanics calculations and nuclear magnetic resonance spectroscopy. A preferred diaxial conformation for the trans-isomer

W. Kitching, S. Cho, F. Cartledge, 1997 .

Carboxylic acid based quinolines as liver X receptor modulators that have LXRbeta receptor binding selectivity.

Lisa Nogle, Anna Wilhelmsson, James Jetter, 2008, Bioorganic & medicinal chemistry letters.

Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: beneficial modulation of lipids in primates.

M. Evans, P. Mahaney, W. Hum, 2010, Journal of medicinal chemistry.

4-(3-aryloxyaryl)quinoline alcohols are liver X receptor agonists.

Anna Wilhelmsson, John Ullrich, P. Nambi, 2009, Bioorganic & medicinal chemistry.

An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism

Yuan Zhang, B. L. Kormos, R. Unwalla, 2023, Nature communications.

Structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase by 6-azaandrost-4-en-3-ones: optimization of the C17 substituent.

S. Frye, P. Maloney, S V Frye, 1995, Journal of medicinal chemistry.

Structure-activity relationships involving the catechol subunit of rolipram

F. Schoenen, J. Stafford, P. Domanico, 1994 .

Pyrrole[2,3-d]azepino compounds as agonists of the farnesoid X receptor (FXR).

M. Evans, P. Mahaney, Callain Y Kim, 2009, Bioorganic & medicinal chemistry letters.

Synthesis and biological activity of a novel series of indole-derived PPARγ agonists

Steven G. Blanchard, John A. Ray, Rayomand J. Unwalla, 1999 .