Xiang-Qun Xie - Publications

University of Pittsburgh, Pittsburgh, PA, United States 
Pharmacy, Statistics, Computer Science

54 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.32
2019 Cheng J, Wang S, Lin W, Wu N, Wang Y, Chen M, Xie XS, Feng Z. Computational Systems Pharmacology-Target Mapping for Fentanyl-laced Cocaine Overdose. Acs Chemical Neuroscience. PMID 31257858 DOI: 10.1021/acschemneuro.9b00109  0.32
2019 Zhou Z, Feng Z, Hu D, Yang P, Gur M, Bahar I, Cristofanilli M, Gradishar WJ, Xie XQ, Wan Y. A novel small-molecule antagonizes PRMT5-mediated KLF4 methylation for targeted therapy. Ebiomedicine. PMID 31101597 DOI: 10.1016/j.ebiom.2019.05.011  0.32
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  0.32
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  0.32
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  0.32
2018 Wu X, Xie S, Wang L, Fan P, Ge S, Xie XQ, Wu W. A computational strategy for finding novel targets and therapeutic compounds for opioid dependence. Plos One. 13: e0207027. PMID 30403753 DOI: 10.1371/journal.pone.0207027  0.32
2018 Hu Z, Wang L, Ma S, Kirisci L, Feng Z, Xue Y, Klunk WE, Kamboh MI, Sweet RA, Becker J, Lv Q, Lopez OL, Xie XQ. Synergism of antihypertensives and cholinesterase inhibitors in Alzheimer's disease. Alzheimer's & Dementia (New York, N. Y.). 4: 542-555. PMID 30386819 DOI: 10.1016/j.trci.2018.09.001  0.32
2018 Wang Y, Lin W, Wu N, He X, Wang J, Feng Z, Xie XQ. An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation. Journal of Molecular Modeling. 24: 243. PMID 30121710 DOI: 10.1007/s00894-018-3790-9  0.32
2018 Zhou L, Zhou S, Yang P, Tian Y, Feng Z, Xie XQ, Liu Y. Targeted inhibition of the type 2 cannabinoid receptor is a novel approach to reduce renal fibrosis. Kidney International. PMID 30093080 DOI: 10.1016/j.kint.2018.05.023  0.32
2018 Wang L, Ma S, Hu Z, McGuire TF, Xie X. Chemogenomics System Pharmacology Mapping of Potential Drug Targets for Treatment of Traumatic Brain Injury. Journal of Neurotrauma. PMID 30014763 DOI: 10.1089/neu.2018.5757  0.32
2018 Jing Y, Bian Y, Hu Z, Wang L, Xie XS. Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era. The Aaps Journal. 20: 58. PMID 29603063 DOI: 10.1208/s12248-018-0210-0  0.32
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  0.32
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  0.32
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  0.32
2016 Feng Z, Hu G, Ma S, Xie XQ. Erratum to: Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors. The Aaps Journal. PMID 27770277 DOI: 10.1208/s12248-016-0005-0  0.32
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  0.32
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  0.32
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  0.32
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  0.32
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  0.32
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  0.32
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  0.32
2015 Feng Z, Pearce LV, Xu X, Yang X, Yang P, Blumberg PM, Xie XQ. Structural insight into tetrameric hTRPV1 from homology modeling, molecular docking, molecular dynamics simulation, virtual screening, and bioassay validations. Journal of Chemical Information and Modeling. 55: 572-88. PMID 25642729 DOI: 10.1021/ci5007189  0.32
2015 Feng R, Tong Q, Xie Z, Cheng H, Wang L, Lentzsch S, Roodman GD, Xie XQ. Targeting cannabinoid receptor-2 pathway by phenylacetylamide suppresses the proliferation of human myeloma cells through mitotic dysregulation and cytoskeleton disruption. Molecular Carcinogenesis. PMID 25640641 DOI: 10.1002/mc.22251  0.32
2014 Ouyang Q, Wang L, Mu Y, Xie XQ. Modeling skin sensitization potential of mechanistically hard-to-be-classified aniline and phenol compounds with quantum mechanistic properties. Bmc Pharmacology & Toxicology. 15: 76. PMID 25539579 DOI: 10.1186/2050-6511-15-76  0.32
2014 Liu H, Wang L, Su W, Xie XQ. Advances in recent patent and clinical trial drug development for Alzheimer's disease. Pharmaceutical Patent Analyst. 3: 429-47. PMID 25291315 DOI: 10.4155/ppa.14.22  0.32
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  0.32
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  0.92
2014 Cai Z, Ouyang Q, Zeng D, Nguyen KN, Modi J, Wang L, White AG, Rogers BE, Xie XQ, Anderson CJ. 64Cu-labeled somatostatin analogues conjugated with cross-bridged phosphonate-based chelators via strain-promoted click chemistry for PET imaging: in silico through in vivo studies. Journal of Medicinal Chemistry. 57: 6019-29. PMID 24983404 DOI: 10.1021/jm500416f  0.32
2014 Chen X, Cao Y, Zhang H, Zhu Z, Liu M, Liu H, Ding X, Hong Z, Li W, Lv D, Wang L, Zhuo X, Zhang J, Xie XQ, Chai Y. Comparative normal/failing rat myocardium cell membrane chromatographic analysis system for screening specific components that counteract doxorubicin-induced heart failure from Acontium carmichaeli. Analytical Chemistry. 86: 4748-57. PMID 24731167 DOI: 10.1021/ac500287e  0.32
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  0.32
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  0.32
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  0.32
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  0.32
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  0.32
2013 LaPorte MG, Tsegay S, Hong KB, Lu C, Fang C, Wang L, Xie XQ, Floreancig PE. Construction of a spirooxindole amide library through nitrile hydrozirconation-acylation-cyclization cascade. Acs Combinatorial Science. 15: 344-9. PMID 23731121 DOI: 10.1021/co4000387  0.32
2013 Liu H, Liang F, Su W, Wang N, Lv M, Li P, Pei Z, Zhang Y, Xie XQ, Wang L, Wang Y. Lifespan extension by n-butanol extract from seed of Platycladus orientalis in Caenorhabditis elegans. Journal of Ethnopharmacology. 147: 366-72. PMID 23523941 DOI: 10.1016/j.jep.2013.03.019  0.32
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  0.32
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  0.92
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  0.32
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  0.32
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  0.32
2012 Yang P, Myint KZ, Tong Q, Feng R, Cao H, Almehizia AA, Alqarni MH, Wang L, Bartlow P, Gao Y, Gertsch J, Teramachi J, Kurihara N, Roodman GD, Cheng T, ... Xie XQ, et al. Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitors. Journal of Medicinal Chemistry. 55: 9973-87. PMID 23072339 DOI: 10.1021/jm301212u  0.32
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  0.32
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  0.32
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  0.32
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  0.92
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  0.32
2011 Ma C, Wang L, Xie XQ. GPU accelerated chemical similarity calculation for compound library comparison. Journal of Chemical Information and Modeling. 51: 1521-7. PMID 21692447 DOI: 10.1021/ci1004948  0.32
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  0.32
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  0.32
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  0.32
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  0.32
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