L. Xing

发表

Predicting pKa by Molecular Tree Structured Fingerprints and PLS.

R. Glen, R. Clark, L. Xing, 2003 .

Kinase hinge binding scaffolds and their hydrogen bond patterns.

Li Xing, Elizabeth A Lunney, Jacquelyn L. Klug-McLeod, 2015, Bioorganic & medicinal chemistry.

Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase.

Dean M. Messing, G. Anderson, J. Monahan, 2011, Bioorganic & medicinal chemistry letters.

Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

Li Xing, Guoyun Bai, Atli Thorarensen, 2016, Scientific Reports.

Medicinal Chemistry Case History: Structure-Based Drug Design of Oral and Inhaled p38 MAP Kinase Inhibitors as Clinical Candidates

J. Mathias, L. Xing, 2017 .

Discovery of Atropisomer PH-797804 as a Potent , Selective and Efficacious P 38 MAP Kinase Inhibitor as Clinical Candidate

L. Xing, 2015 .

Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors.

Dean M. Messing, G. Anderson, J. Monahan, 2011, Bioorganic & medicinal chemistry letters.

Structure-activity relationship study of permethyl ningalin B analogues as P-glycoprotein chemosensitizers.

L. Chow, L. Xing, Tao Jiang, 2013, Journal of medicinal chemistry.

Fluorine multipolar interaction: Toward elucidating its energetics in binding recognition

Christopher E. Keefer, L. Xing, C. Keefer, 2017 .

2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: design and synthesis of a potent and isoform selective PKC-zeta inhibitor.

R. Compton, Wei Huang, A. Thorarensen, 2009, Bioorganic & medicinal chemistry letters.

Case studies of fluorine in drug discovery

L. Fitz, T. Honda, L. Xing, 2019, Fluorine in Life Sciences: Pharmaceuticals, Medicinal Diagnostics, and Agrochemicals.

Design, synthesis and biological evaluation of a series of novel 2-benzamide-4-(6-oxy-N-methyl-1-naphthamide)-pyridine derivatives as potent fibroblast growth factor receptor (FGFR) inhibitors.

M. Geng, Ruimin Huang, L. Xing, 2018, European journal of medicinal chemistry.

Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase.

R. Kurumbail, J. Monahan, M. Hepperle, 2009, Bioorganic & medicinal chemistry letters.

Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.

S. Wright, J. D. Clark, M. Hegen, 2020, Journal of medicinal chemistry.

Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.

J. D. Clark, M. Hegen, Betsy S. Pierce, 2020, Bioorganic & medicinal chemistry.

Fluorine in Drug Design: A Case Study with Fluoroanisoles

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

Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.

Li Xing, Leonard Buckbinder, Amy Baumann, 2009, Bioorganic & medicinal chemistry letters.

Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat.

Li Xing, Patrizia Crivori, Alan G. E. Wilson, 2004, Journal of medicinal chemistry.

Synthesis and structure-activity relationship study of pyrazolo[3,4-d]pyrimidines as tyrosine kinase RET inhibitors.

M. Geng, Hongchun Liu, Yin-chun Ji, 2017, Bioorganic & medicinal chemistry letters.

Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors.

Dean M. Messing, G. Anderson, J. Monahan, 2011, Bioorganic & medicinal chemistry letters.

Novel Methods for the Prediction of logP, pKa, and logD

Robert C. Glen, Li Xing, R. Glen, 2002, J. Chem. Inf. Comput. Sci..

Scaffold mining of kinase hinge binders in crystal structure database

Li Xing, Elizabeth A. Lunney, Brajesh Rai, 2013, Journal of Computer-Aided Molecular Design.

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.

An orally available tyrosine kinase ALK and RET dual inhibitor bearing the tetracyclic benzo[b]carbazolone core.

M. Geng, Yin-chun Ji, L. Xing, 2016, European journal of medicinal chemistry.

Novel tetracyclic benzo[b]carbazolones as highly potent and orally bioavailable ALK inhibitors: design, synthesis, and structure-activity relationship study.

Jian Ding, M. Geng, L. Xing, 2015, European journal of medicinal chemistry.

Clinical candidates of small molecule p38 MAPK inhibitors for inflammatory diseases

L. Xing, 2016 .

Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.

Li Xing, R. Kurumbail, J. F. Schindler, 2009, Biochemistry.

Discovery of a potent tyrosine kinase AXL inhibitor bearing the 3-((2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)amino)pyrazine core.

Yin-chun Ji, L. Xing, Zilan Song, 2019, Bioorganic & medicinal chemistry letters.

Structure-Activity Relationships for Interaction with Multidrug Resistance Protein 2 (ABCC2/MRP2): The Role of Torsion Angle for a Series of Biphenyl-Substituted Heterocycles

G. Poda, Y. Lai, L. Xing, 2007, Drug Metabolism and Disposition.

Advancement of Structure-Activity Relationship of Multidrug Resistance-Associated Protein 2 Interactions

Y. Lai, L. Xing, Yiding Hu, 2009, The AAPS Journal.

Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).

Li Xing, Eddine Saiah, David Lin, 2018, Journal of medicinal chemistry.

Design, Synthesis, and Pharmacological Evaluation of Biaryl-Containing PD-1/PD-L1 Interaction Inhibitors Bearing a Unique Difluoromethyleneoxy Linkage.

M. Geng, L. Xing, Bo Liu, 2021, Journal of medicinal chemistry.

Metabolism-based structure optimization: Discovery of a potent and orally available tyrosine kinase ALK inhibitor bearing the tetracyclic benzo[b]carbazolone core.

M. Geng, Yin-chun Ji, L. Xing, 2016, Bioorganic & medicinal chemistry letters.

Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.

Li Xing, R. Kurumbail, S. Roberds, 2011, Journal of medicinal chemistry.

Discovery and Characterization of Atropisomer PH‐797804, a p38 MAP Kinase Inhibitor, as a Clinical Drug Candidate

Dean M. Messing, G. Anderson, J. Monahan, 2012, ChemMedChem.

Design, synthesis and activity of a potent, selective series of N-aryl pyridinone inhibitors of p38 kinase.

R. Kurumbail, Dean M. Messing, J. F. Schindler, 2011, Bioorganic & medicinal chemistry letters.

Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase.

M. Hepperle, R. Devraj, L. Xing, 2010, Bioorganic & medicinal chemistry letters.

Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition.

L. Xing, S. Selness, H. Shieh, 2010, Bioorganic & medicinal chemistry letters.

Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.

Daniel P. Walker, Dean M. Messing, A. Wittwer, 2018, ACS medicinal chemistry letters.

Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.

David R. Anderson, R. Kurumbail, S. Shakya, 2012, Journal of medicinal chemistry.

Predicting pKa by Molecular Tree Structured Fingerprints and PLS

Robert C. Glen, Li Xing, Robert D. Clark, 2003, J. Chem. Inf. Comput. Sci..

QSAR Models for Binding of Estrogenic Compounds to Estrogen Receptor α and β Subtypes.

Roger Perkins, Li Xing, William J Welsh, 1997, Endocrinology.

QSAR models for binding of estrogenic compounds to estrogen receptor alpha and beta subtypes.

D M Sheehan, R. Perkins, W. Welsh, 1997, Endocrinology.

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

Seo Jung Hong, D. Ho, B. Stockwell, 2020, bioRxiv.

Target the More Druggable Protein States in a Highly Dynamic Protein-Protein Interaction System

Li Xing, Zuojun Guo, Atli Thorarensen, 2016, J. Chem. Inf. Model..

Comparison of Estrogen Receptor α and β Subtypes Based on Comparative Molecular Field Analysis (CoMFA)

William J. Welsh, Weida Tong, Roger Perkins, 1999 .

Bruton's TK inhibitors: structural insights and evolution of clinical candidates.

L. Xing, A. Huang, 2014, Future medicinal chemistry.

Structure-based parallel medicinal chemistry approach to improve metabolic stability of benzopyran COX-2 inhibitors.

J. Gierse, J. Carter, J. Wendling, 2011, Bioorganic & medicinal chemistry letters.

Synthesis and biological evaluation of substituted benzoxazoles as inhibitors of mPGES-1: use of a conformation-based hypothesis to facilitate compound design.

Daniel P. Walker, Y. M. Fobian, L. Xing, 2013, Bioorganic & medicinal chemistry letters.

Homo-timeric structural model of human microsomal prostaglandin E synthase-1 and characterization of its substrate/inhibitor binding interactions

Li Xing, Joseph J. McDonald, Michael S. Davies, 2009, J. Comput. Aided Mol. Des..

Continued exploration of biphenylsulfonamide scaffold as a platform for aggrecanase-1 inhibition.

J. Xiang, L. Xing, S. Tam, 2011, Bioorganic & medicinal chemistry letters.

Comparison of estrogen receptor alpha and beta subtypes based on comparative molecular field analysis (CoMFA).

D M Sheehan, R. Perkins, W. Welsh, 1999, SAR and QSAR in environmental research.

Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics

James E. J. Mills, Michael D. Miller, Li Xing, 2011, J. Comput. Aided Mol. Des..

Evaluation and application of multiple scoring functions for a virtual screening experiment

Li Xing, Qian Liu, Edward Hodgkin, 2004, J. Comput. Aided Mol. Des..