Publications

Xiang-Qun Xie, PhD, MBA

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. Sci Rep. 2019 Feb 19;9(1):2268. doi: 10.1038/s41598-018-35449-6. PubMed PMID: 30783122; PMCID: PMC6381188.
Fan P, Wang N, Wang L, Xie XQ. Autophagy And Apoptosis Specifc Knowledgebases-Guided Systems Pharmacology Drug Research. Curr Cancer Drug Targets. 2019 Feb 6; doi: 10.2174/1568009619666190206122149. PubMed PMID: 30727895.
Wang J, Ge Y, Xie XQ. Development and Testing of Druglike Screening Libraries. J Chem Inf Model. 2019 Jan 28;59(1):53-65. doi: 10.1021/acs.jcim.8b00537. PubMed PMID: 30563329.
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. 2018;13(11):e0207027. doi: 10.1371/journal.pone.0207027. PubMed PMID: 30403753; PMCID: PMC6221321.
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. J Comput Aided Mol Des. 2019 Jan;33(1):105-117. doi: 10.1007/s10822-018-0162-6. PubMed PMID: 30218199.
Bian YM, He XB, Jing YK, Wang LR, Wang JM, Xie XQ. Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation. Acta Pharmacol Sin. 2019 Mar;40(3):374-386. doi: 10.1038/s41401-018-0071-1. PubMed PMID: 30202014.
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. J Mol Model. 2018 Aug 18;24(9):243. doi: 10.1007/s00894-018-3790-9. PubMed PMID: 30121710.
Adamik J, Silbermann R, Marino S, Sun Q, Anderson JL, Zhou D, Xie XQ, Roodman GD, Galson DL. XRK3F2 Inhibition of p62-ZZ Domain Signaling Rescues Myeloma-Induced GFI1-Driven Epigenetic Repression of the Runx2 Gene in Pre-osteoblasts to Overcome Differentiation Suppression. Front Endocrinol (Lausanne). 2018;9344. doi: 10.3389/fendo.2018.00344. PubMed PMID: 30008697; PMCID: PMC6033965.
Jing Y, Bian Y, Hu Z, Wang L, Xie XQ. Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era. AAPS J. 2018 Jun 25;20(4):79. doi: 10.1208/s12248-018-0243-4. PubMed PMID: 29943256.
Bian Y, Xie XS. Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications. AAPS J. 2018 Apr 9;20(3):59. doi: 10.1208/s12248-018-0216-7. PubMed PMID: 29633051.
Jing Y, Bian Y, Hu Z, Wang L, Xie XQ. Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era. AAPS J. 2018 Mar 30;20(3):58. doi: 10.1208/s12248-018-0210-0. PubMed PMID: 29603063.
Yoo YD, Mun SR, Ji CH, Sung KW, Kang KY, Heo AJ, Lee SH, An JY, Hwang J, Xie XQ, Ciechanover A, Kim BY, Kwon YT. N-terminal arginylation generates a bimodal degron that modulates autophagic proteolysis. Proc Natl Acad Sci U S A. 2018 Mar 20;115(12):E2716-E2724. doi: 10.1073/pnas.1719110115. PubMed PMID: 29507222; PMCID: PMC5866579.
Lee JY, Feng Z, Xie XQ, Bahar I. Allosteric Modulation of Intact γ-Secretase Structural Dynamics. Biophys J. 2017 Dec 19;113(12):2634-2649. doi: 10.1016/j.bpj.2017.10.012. PubMed PMID: 29262358; PMCID: PMC5770568.
Wang N, Wang L, Xie XQ. ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research. J Chem Inf Model. 2017 Nov 27;57(11):2686-2698. doi: 10.1021/acs.jcim.7b00277. PubMed PMID: 29016123; PMCID: PMC5836547.
Cha-Molstad H, Yu JE, Feng Z, Lee SH, Kim JG, Yang P, Han B, Sung KW, Yoo YD, Hwang J, McGuire T, Shim SM, Song HD, Ganipisetti S, Wang N, Jang JM, Lee MJ, Kim SJ, Lee KH, Hong JT, Ciechanover A, Mook-Jung I, Kim KP, Xie XQ, Kwon YT, Kim BY. p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis. Nat Commun. 2017 Jul 24;8(1):102. doi: 10.1038/s41467-017-00085-7. PubMed PMID: 28740232; PMCID: PMC5524641.
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. AAPS J. 2017 Jul;19(4):1235-1248. doi: 10.1208/s12248-017-0093-5. PubMed PMID: 28560482; PMCID: PMC5836546.
Zhang Y, Wang L, Feng Z, Cheng H, McGuire TF, Ding Y, Cheng T, Gao Y, Xie XQ. StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics KnowledgeBase for Target Identification and Systems-Pharmacology Research. J Chem Inf Model. 2016 Oct 24;56(10):1995-2004. doi: 10.1021/acs.jcim.5b00748. PubMed PMID: 27643925; PMCID: PMC5323316.
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. J Mol Model. 2016 Jul;22(7):156. doi: 10.1007/s00894-016-3017-x. PubMed PMID: 27307058; PMCID: PMC5327499.
Hu J, Feng Z, Ma S, Zhang Y, Tong Q, Alqarni MH, Gou X, Xie XQ. Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery. J Chem Inf Model. 2016 Jun 27;56(6):1152-63. doi: 10.1021/acs.jcim.5b00739. PubMed PMID: 27186994; PMCID: PMC5395206.
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. AAPS J. 2016 Jul;18(4):898-913. doi: 10.1208/s12248-016-9888-z. PubMed PMID: 27000851; PMCID: PMC5333490.
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. Sci Rep. 2015 Dec 18;518115. doi: 10.1038/srep18115. PubMed PMID: 26681454; PMCID: PMC4683533.
Ji KL, Zhang P, Li XN, Guo J, Hu HB, Xiao CF, Xie XQ, Xu YK. Cytotoxic limonoids from Trichilia americana leaves. Phytochemistry. 2015 Oct;11861-7. doi: 10.1016/j.phytochem.2015.08.014. PubMed PMID: 26330216.
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. J Chem Biol. 2015 Jul;8(3):79-93. doi: 10.1007/s12154-015-0131-7. PubMed PMID: 26101550; PMCID: PMC4470991.
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. AAPS J. 2015 May;17(3):737-53. doi: 10.1208/s12248-015-9742-8. PubMed PMID: 25762450; PMCID: PMC4406965.
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, Wang L, Liu H, Li Y, Cheng H, Miao W, Yuan W, Yuan Y, Cheng T, Xie XQ. Small-molecule inhibitors targeting INK4 protein p18(INK4C) enhance ex vivo expansion of haematopoietic stem cells. Nat Commun. 2015 Feb 18;66328. doi: 10.1038/ncomms7328. PubMed PMID: 25692908; PMCID: PMC4508125.
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. Mol Carcinog. 2015 Dec;54(12):1796-806. doi: 10.1002/mc.22251. PubMed PMID: 25640641; PMCID: PMC4504841.

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