| Year |
Citation |
Score |
| 2021 |
Cheng J, Chen M, Wang S, Liang T, Chen H, Chen CJ, Feng Z, Xie XQ. Binding Characterization of Agonists and Antagonists by MCCS: A Case Study from Adenosine A Receptor. Acs Chemical Neuroscience. PMID 33856784 DOI: 10.1021/acschemneuro.1c00082 |
0.304 |
|
| 2020 |
Feng Z, Liang T, Wang S, Chen M, Hou T, Zhao J, Chen H, Zhou Y, Xie XQ. Binding Characterization of GPCRs-Modulator by Molecular Complex Characterizing System (MCCS). Acs Chemical Neuroscience. PMID 32941011 DOI: 10.1021/Acschemneuro.0C00457 |
0.382 |
|
| 2020 |
Bian Y, Jun JJ, Cuyler J, Xie XQ. Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery. European Journal of Medicinal Chemistry. 206: 112690. PMID 32818870 DOI: 10.1016/J.Ejmech.2020.112690 |
0.382 |
|
| 2019 |
Journigan VB, Feng Z, Rahman S, Wang Y, Amin ARMR, Heffner CE, Bachtel N, Wang S, Gonzalez-Rodriguez S, Fernández-Carvajal A, Fernández-Ballester G, Hilton JK, Van Horn WD, Ferrer-Montiel A, Xie XQ, et al. Structure-based design of novel biphenyl amide antagonists of human Transient Receptor Potential Cation Channel Subfamily M Member 8 channels (TRPM8) with potential implications in the treatment of sensory neuropathies. Acs Chemical Neuroscience. PMID 31850745 DOI: 10.1021/Acschemneuro.9B00404 |
0.346 |
|
| 2019 |
He Q, Chu H, Wang Y, Guo H, Wang Y, Wang S, Feng Z, Xie XQ, Hu Y, Liu H, Lin Z. In silico design novel Vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation. Journal of Biomolecular Structure & Dynamics. 1-13. PMID 31542999 DOI: 10.1080/07391102.2019.1671900 |
0.355 |
|
| 2019 |
Bian Y, Jing Y, Wang L, Ma S, Jun JJ, Xie XS. Prediction of orthosteric and allosteric regulations on cannabinoid receptors using supervised machine learning classifiers. Molecular Pharmaceutics. PMID 31013097 DOI: 10.1021/Acs.Molpharmaceut.9B00182 |
0.358 |
|
| 2019 |
Ge H, Bian Y, He X, Xie XQ, Wang J. Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation. Journal of Computer-Aided Molecular Design. PMID 30840169 DOI: 10.1007/S10822-019-00194-Z |
0.323 |
|
| 2019 |
Chen M, Jing Y, Wang L, Feng Z, Xie XS. DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs. Journal of Chemical Information and Modeling. PMID 30835466 DOI: 10.1021/Acs.Jcim.8B00623 |
0.383 |
|
| 2019 |
Wang YQ, Lin WW, Wu N, Wang SY, Chen MZ, Lin ZH, Xie XQ, Feng ZW. Structural insight into the serotonin (5-HT) receptor family by molecular docking, molecular dynamics simulation and systems pharmacology analysis. Acta Pharmacologica Sinica. PMID 30814658 DOI: 10.1038/S41401-019-0217-9 |
0.313 |
|
| 2019 |
Wu N, Feng Z, He X, Kwon W, Wang J, Xie XQ. Insight of Captagon Abuse by Chemogenomics Knowledgebase-guided Systems Pharmacology Target Mapping Analyses. Scientific Reports. 9: 2268. PMID 30783122 DOI: 10.1038/S41598-018-35449-6 |
0.364 |
|
| 2019 |
Ma S, Attarwala I, Xie XS. SQSTM1/p62: a potential target for neurodegenerative disease. Acs Chemical Neuroscience. PMID 30657305 DOI: 10.1021/Acschemneuro.8B00516 |
0.321 |
|
| 2018 |
He X, Man VH, Ji B, Xie XQ, Wang J. Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3. Journal of Computer-Aided Molecular Design. PMID 30218199 DOI: 10.1007/S10822-018-0162-6 |
0.322 |
|
| 2017 |
Lee JY, Feng Z, Xie XQ, Bahar I. Allosteric Modulation of Intact γ-Secretase Structural Dynamics. Biophysical Journal. 113: 2634-2649. PMID 29262358 DOI: 10.1016/J.Bpj.2017.10.012 |
0.341 |
|
| 2017 |
Wang N, Wang L, Xie XS. ProSelection: A novel algorithm to select proper protein structure subsets for in silico target identification and drug discovery research. Journal of Chemical Information and Modeling. PMID 29016123 DOI: 10.1021/Acs.Jcim.7B00277 |
0.399 |
|
| 2017 |
Bian Y, Feng Z, Yang P, Xie XQ. Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5. The Aaps Journal. PMID 28560482 DOI: 10.1208/S12248-017-0093-5 |
0.417 |
|
| 2017 |
Chen S, Feng Z, Wang Y, Ma S, Hu Z, Yang P, Chai Y, Xie XS. Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay. Journal of Chemical Information and Modeling. PMID 28422491 DOI: 10.1021/Acs.Jcim.6B00672 |
0.304 |
|
| 2016 |
Xu X, Ma S, Feng Z, Hu G, Wang L, Xie XQ. Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification-Salvinorin A as a case study. Journal of Molecular Graphics & Modelling. 70: 284-295. PMID 27810775 DOI: 10.1016/J.Jmgm.2016.08.001 |
0.395 |
|
| 2016 |
Zhang H, Ma S, Feng Z, Wang D, Li C, Cao Y, Chen X, Liu A, Zhu Z, Zhang J, Zhang G, Chai Y, Wang L, Xie XQ. Cardiovascular Disease Chemogenomics Knowledgebase-guided Target Identification and Drug Synergy Mechanism Study of an Herbal Formula. Scientific Reports. 6: 33963. PMID 27678063 DOI: 10.1038/Srep33963 |
0.334 |
|
| 2016 |
Zhang Y, Xie XS, Wang L, Cheng H, McGuire TF, Ding Y, Feng Z, Cheng T, Gao Y. StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics Knowledge Base for Target Identification and Systems-Pharmacology Research. Journal of Chemical Information and Modeling. PMID 27643925 DOI: 10.1021/Acs.Jcim.5B00748 |
0.334 |
|
| 2016 |
Hu J, Hu Z, Zhang Y, Gou X, Mu Y, Wang L, Xie XQ. Metal binding mediated conformational change of XPA protein:a potential cytotoxic mechanism of nickel in the nucleotide excision repair. Journal of Molecular Modeling. 22: 156. PMID 27307058 DOI: 10.1007/S00894-016-3017-X |
0.314 |
|
| 2016 |
Hu J, Feng Z, Ma S, Zhang Y, Tong Q, Alqarni MH, Gou X, Xie XS. Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery. Journal of Chemical Information and Modeling. PMID 27186994 DOI: 10.1021/Acs.Jcim.5B00739 |
0.441 |
|
| 2016 |
Feng Z, Pearce LV, Zhang Y, Xing C, Herold BK, Ma S, Hu Z, Turcios NA, Yang P, Tong Q, McCall AK, Blumberg PM, Xie XQ. Multi-Functional Diarylurea Small Molecule Inhibitors of TRPV1 with Therapeutic Potential for Neuroinflammation. The Aaps Journal. PMID 27000851 DOI: 10.1208/S12248-016-9888-Z |
0.405 |
|
| 2015 |
Xie XQ, Yang P, Zhang Y, Zhang P, Wang L, Ding Y, Yang M, Tong Q, Cheng H, Ji Q, McGuire T, Yuan W, Cheng T, Gao Y. Discovery of novel INK4C small-molecule inhibitors to promote human and murine hematopoietic stem cell ex vivo expansion. Scientific Reports. 5: 18115. PMID 26681454 DOI: 10.1038/Srep18115 |
0.344 |
|
| 2015 |
Feng Z, Kochanek S, Close D, Wang L, Srinivasan A, Almehizia AA, Iyer P, Xie XQ, Johnston PA, Gold B. Design and activity of AP endonuclease-1 inhibitors. Journal of Chemical Biology. 8: 79-93. PMID 26101550 DOI: 10.1007/S12154-015-0131-7 |
0.328 |
|
| 2015 |
Feng Z, Hu G, Ma S, Xie XQ. Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors. The Aaps Journal. PMID 25940084 DOI: 10.1208/S12248-015-9776-Y |
0.408 |
|
| 2015 |
Feng Z, Ma S, Hu G, Xie XQ. Allosteric Binding Site and Activation Mechanism of Class C G-Protein Coupled Receptors: Metabotropic Glutamate Receptor Family. The Aaps Journal. 17: 737-53. PMID 25762450 DOI: 10.1208/S12248-015-9742-8 |
0.405 |
|
| 2015 |
Gao Y, Yang P, Shen H, Yu H, Song X, Zhang L, Zhang P, Cheng H, Xie Z, Hao S, Dong F, Ma S, Ji Q, Bartlow P, Ding Y, ... ... Xie XQ, et al. Small-molecule inhibitors targeting INK4 protein p18(INK4C) enhance ex vivo expansion of haematopoietic stem cells. Nature Communications. 6: 6328. PMID 25692908 DOI: 10.1038/Ncomms7328 |
0.302 |
|
| 2015 |
Myint KZ, Xie XQ. Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR). Methods in Molecular Biology (Clifton, N.J.). 1260: 149-64. PMID 25502380 DOI: 10.1007/978-1-4939-2239-0_9 |
0.373 |
|
| 2014 |
Alqarni M, Myint KZ, Tong Q, Yang P, Bartlow P, Wang L, Feng R, Xie XQ. Examining the critical roles of human CB2 receptor residues Valine 3.32 (113) and Leucine 5.41 (192) in ligand recognition and downstream signaling activities. Biochemical and Biophysical Research Communications. 452: 334-9. PMID 25148941 DOI: 10.1016/J.Bbrc.2014.08.048 |
0.365 |
|
| 2014 |
Feng Z, Alqarni MH, Yang P, Tong Q, Chowdhury A, Wang L, Xie XQ. Modeling, molecular dynamics simulation, and mutation validation for structure of cannabinoid receptor 2 based on known crystal structures of GPCRs. Journal of Chemical Information and Modeling. 54: 2483-99. PMID 25141027 DOI: 10.1021/Ci5002718 |
0.608 |
|
| 2014 |
Feng R, Milcarek CA, Xie XQ. Antagonism of cannabinoid receptor 2 pathway suppresses IL-6-induced immunoglobulin IgM secretion. Bmc Pharmacology & Toxicology. 15: 30. PMID 24913620 DOI: 10.1186/2050-6511-15-30 |
0.319 |
|
| 2014 |
Sheng S, Wang J, Wang L, Liu H, Li P, Liu M, Long C, Xie C, Xie X, Su W. Network pharmacology analyses of the antithrombotic pharmacological mechanism of Fufang Xueshuantong Capsule with experimental support using disseminated intravascular coagulation rats. Journal of Ethnopharmacology. 154: 735-44. PMID 24832112 DOI: 10.1016/J.Jep.2014.04.048 |
0.342 |
|
| 2014 |
Liu H, Wang L, Lv M, Pei R, Li P, Pei Z, Wang Y, Su W, Xie XQ. AlzPlatform: an Alzheimer's disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research. Journal of Chemical Information and Modeling. 54: 1050-60. PMID 24597646 DOI: 10.1021/Ci500004H |
0.308 |
|
| 2014 |
Zhang S, Jia N, Shao P, Tong Q, Xie XQ, Bai M. Target-selective phototherapy using a ligand-based photosensitizer for type 2 cannabinoid receptor. Chemistry & Biology. 21: 338-44. PMID 24583052 DOI: 10.1016/J.Chembiol.2014.01.009 |
0.337 |
|
| 2014 |
Wang L, Xie XQ. Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery? Future Medicinal Chemistry. 6: 247-9. PMID 24575960 DOI: 10.4155/Fmc.14.5 |
0.364 |
|
| 2014 |
Xie XQ, Wang L, Liu H, Ouyang Q, Fang C, Su W. Chemogenomics knowledgebased polypharmacology analyses of drug abuse related G-protein coupled receptors and their ligands. Frontiers in Pharmacology. 5: 3. PMID 24567719 DOI: 10.3389/Fphar.2014.00003 |
0.36 |
|
| 2013 |
Ouyang Q, Tong Q, Feng R, Myint KZ, Yang P, Xie XQ. Trisubstituted Sulfonamides: a New Chemotype for Development of Potent and Selective CB2 Receptor Inverse Agonists. Acs Medicinal Chemistry Letters. 4: 387-392. PMID 24729834 DOI: 10.1021/Ml3004236 |
0.346 |
|
| 2013 |
Yang P, Wang L, Feng R, Almehizia AA, Tong Q, Myint KZ, Ouyang Q, Alqarni MH, Wang L, Xie XQ. Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation. Journal of Medicinal Chemistry. 56: 2045-58. PMID 23406429 DOI: 10.1021/Jm3017464 |
0.42 |
|
| 2013 |
Xie XQ, Chowdhury A. Advances in methods to characterize ligand-induced ionic lock and rotamer toggle molecular switch in G protein-coupled receptors. Methods in Enzymology. 520: 153-74. PMID 23332699 DOI: 10.1016/B978-0-12-391861-1.00007-1 |
0.599 |
|
| 2013 |
Wang L, Ma C, Wipf P, Liu H, Su W, Xie XQ. TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database. The Aaps Journal. 15: 395-406. PMID 23292636 DOI: 10.1208/S12248-012-9449-Z |
0.362 |
|
| 2013 |
Ma C, Wang L, Yang P, Myint KZ, Xie XQ. LiCABEDS II. Modeling of ligand selectivity for G-protein-coupled cannabinoid receptors. Journal of Chemical Information and Modeling. 53: 11-26. PMID 23278450 DOI: 10.1021/Ci3003914 |
0.411 |
|
| 2013 |
Gao X, Huang Y, Makhov AM, Epperly M, Lu J, Grab S, Zhang P, Rohan L, Xie XQ, Wipf P, Greenberger J, Li S. Nanoassembly of surfactants with interfacial drug-interactive motifs as tailor-designed drug carriers. Molecular Pharmaceutics. 10: 187-98. PMID 23244299 DOI: 10.1021/Mp300319M |
0.303 |
|
| 2013 |
Chowdhury A, Xie X. Production, Characterization and Refolding of G-Protein Coupled CB2 Receptor from Inclusion Bodies Biophysical Journal. 104: 218a. DOI: 10.1016/J.Bpj.2012.11.1232 |
0.602 |
|
| 2012 |
Wang L, Ma C, Wipf P, Xie XQ. Linear and Nonlinear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality. Molecular Informatics. 31: 85-95. PMID 27478180 DOI: 10.1002/Minf.201100126 |
0.377 |
|
| 2012 |
Tandon M, Wang L, Xu Q, Xie X, Wipf P, Wang QJ. A targeted library screen reveals a new inhibitor scaffold for protein kinase D. Plos One. 7: e44653. PMID 23028574 DOI: 10.1371/Journal.Pone.0044653 |
0.362 |
|
| 2012 |
Brummond KM, Goodell JR, Laporte MG, Wang L, Xie XQ. Synthesis and in silico screening of a library of β-carboline-containing compounds. Beilstein Journal of Organic Chemistry. 8: 1048-58. PMID 23019432 DOI: 10.3762/Bjoc.8.117 |
0.359 |
|
| 2012 |
Myint KZ, Wang L, Tong Q, Xie XQ. Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions. Molecular Pharmaceutics. 9: 2912-23. PMID 22937990 DOI: 10.1021/Mp300237Z |
0.396 |
|
| 2012 |
Srinivasan A, Wang L, Cline CJ, Xie Z, Sobol RW, Xie XQ, Gold B. Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitors. Biochemistry. 51: 6246-59. PMID 22788932 DOI: 10.1021/Bi300490R |
0.333 |
|
| 2012 |
Chowdhury A, Feng R, Tong Q, Zhang Y, Xie XQ. Mistic and TarCF as fusion protein partners for functional expression of the cannabinoid receptor 2 in Escherichia coli. Protein Expression and Purification. 83: 128-34. PMID 22406258 DOI: 10.1016/J.Pep.2012.01.008 |
0.576 |
|
| 2012 |
Yang P, Wang L, Xie XQ. Latest advances in novel cannabinoid CB(2) ligands for drug abuse and their therapeutic potential. Future Medicinal Chemistry. 4: 187-204. PMID 22300098 DOI: 10.4155/Fmc.11.179 |
0.357 |
|
| 2012 |
Srinivasan A, Xie X, Sobol RW, Gold B. Abstract 4697: Identification, characterization and effects of inhibitors of the human Apurinic/Apyrimidinic Endonuclease 1 (APE1) protein Cancer Research. 72: 4697-4697. DOI: 10.1158/1538-7445.Am2012-4697 |
0.301 |
|
| 2011 |
Zhang Y, Xie Z, Wang L, Schreiter B, Lazo JS, Gertsch J, Xie XQ. Mutagenesis and computer modeling studies of a GPCR conserved residue W5.43(194) in ligand recognition and signal transduction for CB2 receptor. International Immunopharmacology. 11: 1303-10. PMID 21539938 DOI: 10.1016/J.Intimp.2011.04.013 |
0.361 |
|
| 2011 |
Ma C, Lazo JS, Xie XQ. Compound acquisition and prioritization algorithm for constructing structurally diverse compound libraries. Acs Combinatorial Science. 13: 223-31. PMID 21480665 DOI: 10.1021/Co100033M |
0.315 |
|
| 2011 |
Wang L, Xie Z, Wipf P, Xie XQ. Residue preference mapping of ligand fragments in the Protein Data Bank. Journal of Chemical Information and Modeling. 51: 807-15. PMID 21417260 DOI: 10.1021/Ci100386Y |
0.354 |
|
| 2011 |
Ma C, Wang L, Xie XQ. Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps (LiCABEDS) and its application on modeling ligand functionality for 5HT-subtype GPCR families. Journal of Chemical Information and Modeling. 51: 521-31. PMID 21381738 DOI: 10.1021/Ci100399J |
0.332 |
|
| 2011 |
Painter TO, Wang L, Majumder S, Xie XQ, Brummond KM. Diverging DOS strategy using an allene-containing tryptophan scaffold and a library design that maximizes biologically relevant chemical space while minimizing the number of compounds. Acs Combinatorial Science. 13: 166-74. PMID 21332123 DOI: 10.1021/Co100052S |
0.307 |
|
| 2008 |
Gertsch J, Leonti M, Raduner S, Racz I, Chen JZ, Xie XQ, Altmann KH, Karsak M, Zimmer A. Beta-caryophyllene is a dietary cannabinoid. Proceedings of the National Academy of Sciences of the United States of America. 105: 9099-104. PMID 18574142 DOI: 10.1073/Pnas.0803601105 |
0.355 |
|
| 2008 |
Xie XQ, Chen JZ. Data mining a small molecule drug screening representative subset from NIH PubChem. Journal of Chemical Information and Modeling. 48: 465-75. PMID 18302356 DOI: 10.1021/Ci700193U |
0.345 |
|
| 2007 |
Chen JZ, Wang J, Xie XQ. GPCR structure-based virtual screening approach for CB2 antagonist search. Journal of Chemical Information and Modeling. 47: 1626-37. PMID 17580929 DOI: 10.1021/ci7000814 |
0.318 |
|
| 2005 |
Chen JZ, Han XW, Xie XQ. Preferred conformations of endogenous cannabinoid ligand anandamide. Life Sciences. 76: 2053-69. PMID 15826873 DOI: 10.1016/J.Lfs.2004.08.041 |
0.389 |
|
| 2004 |
Xie XQ, Zhao J, Zheng H. Expression, purification, and isotope labeling of cannabinoid CB2 receptor fragment, CB2(180-233). Protein Expression and Purification. 38: 61-8. PMID 15477083 DOI: 10.1016/J.Pep.2004.07.020 |
0.348 |
|
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