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Jie Xia - Publications

Affiliations: 
Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College 
 school of pharmaceutical sciences Peking University, Beijing, Beijing Shi, China 
Area:
computer aided drug design
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31 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
2023 Qin T, Gao X, Lei L, Feng J, Zhang W, Hu Y, Shen Z, Liu Z, Huan Y, Wu S, Xia J, Zhang L. Machine learning- and structure-based discovery of a novel chemotype as FXR agonists for potential treatment of nonalcoholic fatty liver disease. European Journal of Medicinal Chemistry. 252: 115307. PMID 37003047 DOI: 10.1016/j.ejmech.2023.115307  0.552
2022 Li N, Yin L, Chen X, Shang J, Liang M, Gao L, Qiang G, Xia J, Du G, Yang X. Combination of Docking-Based and Pharmacophore-Based Virtual Screening Identifies Novel Agonists That Target the Urotensin Receptor. Molecules (Basel, Switzerland). 27. PMID 36557826 DOI: 10.3390/molecules27248692  0.346
2022 Qin T, Gao X, Lei L, Zhang W, Feng J, Wang X, Shen Z, Liu Z, Huan Y, Wu S, Xia J, Zhang L. Structural optimization and biological evaluation of 1-adamantylcarbonyl-4-phenylpiperazine derivatives as FXR agonists for NAFLD. European Journal of Medicinal Chemistry. 245: 114903. PMID 36375336 DOI: 10.1016/j.ejmech.2022.114903  0.523
2022 Yu J, Yang K, Zheng J, Zhao P, Xia J, Sun X, Zhao W. Activation of FXR and inhibition of EZH2 synergistically inhibit colorectal cancer through cooperatively accelerating FXR nuclear location and upregulating CDX2 expression. Cell Death & Disease. 13: 388. PMID 35449124 DOI: 10.1038/s41419-022-04745-5  0.31
2022 Wu G, Zhu Z, Li J, Luo X, Zhu W, Liao G, Xia J, Zhang W, Pan W, Li T, Wu S. Design, synthesis and antibacterial evaluation of pleuromutilin derivatives. Bioorganic & Medicinal Chemistry. 59: 116676. PMID 35220163 DOI: 10.1016/j.bmc.2022.116676  0.289
2021 Lian X, Xia Z, Li X, Karpov P, Jin H, Tetko IV, Xia J, Wu S. Anti-MRSA drug discovery by ligand-based virtual screening and biological evaluation. Bioorganic Chemistry. 114: 105042. PMID 34120024 DOI: 10.1016/j.bioorg.2021.105042  0.399
2021 Qin T, Zhu Z, Wang XS, Xia J, Wu S. Computational Representations of Protein-ligand Interfaces for Structure-based Virtual Screening. Expert Opinion On Drug Discovery. PMID 34011222 DOI: 10.1080/17460441.2021.1929921  0.435
2021 Jin H, Xia J, Liu Z, Simon Wang X, Zhang L. A unique ligand-steered strategy for CCR2 homology modeling to facilitate structure-based virtual screening. Chemical Biology & Drug Design. PMID 33386704 DOI: 10.1111/cbdd.13820  0.601
2021 Li T, Li J, Zhu Z, Chen Y, Li X, Yang Q, Xia J, Zhang W, Zhang C, Pan W, Wu S. Metallaphotoredox-catalyzed C–H activation: regio-selective annulation of allenes with benzamide Organic Chemistry Frontiers. 8: 928-935. DOI: 10.1039/d0qo01127d  0.233
2020 Li S, Ding Y, Chen M, Chen Y, Kirchmair J, Zhu Z, Wu S, Xia J. HDAC3i-Finder: A Machine Learning-based Computational Tool to Screen for HDAC3 Inhibitors. Molecular Informatics. PMID 33067876 DOI: 10.1002/minf.202000105  0.44
2020 Lei L, Bai G, Wang X, Liu S, Xia J, Wu S, Huan Y, Shen Z. Histone deacetylase 3-selective inhibitor RGFP966 ameliorates impaired glucose tolerance through β-cell protection. Toxicology and Applied Pharmacology. 115189. PMID 32800772 DOI: 10.1016/j.taap.2020.115189  0.243
2020 Xia J, Wang Z, Huan Y, Xue W, Wang X, Wang YX, Liu ZM, Hsieh JH, Zhang LR, Wu S, Shen ZF, Zhang H, Wang XS. Pose Filter-based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. Journal of Chemical Information and Modeling. PMID 32050066 DOI: 10.1021/Acs.Jcim.9B01030  0.643
2019 Xue W, Li X, Ma G, Zhang H, Chen Y, Kirchmair J, Xia J, Wu S. N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification. European Journal of Medicinal Chemistry. 188: 112022. PMID 31901744 DOI: 10.1016/j.ejmech.2019.112022  0.347
2019 Wang S, Xia J, Wu S, Li S, Ding Y. MUBD-DecoyMaker 2.0: A Python GUI application to generate maximal unbiased benchmarking data sets for virtual drug screening. Molecular Informatics. PMID 31828959 DOI: 10.1002/Minf.201900151  0.457
2019 Xue W, Tian J, Wang XS, Xia J, Wu S. Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives. Bioorganic Chemistry. 86: 224-234. PMID 30716620 DOI: 10.1016/J.Bioorg.2019.01.059  0.534
2018 Xia J, Feng B, Wen G, Xue W, Ma G, Zhang H, Wu S. Bacterial lipoprotein biosynthetic pathway as a potential target for structure-based design of antibacterial agents. Current Medicinal Chemistry. PMID 30360704 DOI: 10.2174/0929867325666181008143411  0.313
2018 Xia J, Reid TE, Wu S, Zhang L, Wang XS. Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Its Comparative Analysis. Journal of Chemical Information and Modeling. PMID 29698608 DOI: 10.1021/Acs.Jcim.8B00004  0.629
2018 Xia J, Hu H, Xue W, Wang XS, Wu S. The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay. Journal of Enzyme Inhibition and Medicinal Chemistry. 33: 525-535. PMID 29464997 DOI: 10.1080/14756366.2018.1437156  0.551
2018 Pang X, Zhang B, Mu G, Xia J, Xiang Q, Zhao X, Liu A, Du G, Cui Y. Screening of cytochrome P450 3A4 inhibitors via in silico and in vitro approaches Rsc Advances. 8: 34783-34792. DOI: 10.1039/C8RA06311G  0.321
2017 Feng B, Li X, Xia J, Wu S. Discovery of novel isoflavone derivatives as AChE/BuChE dual-targeted inhibitors: synthesis, biological evaluation and molecular modelling. Journal of Enzyme Inhibition and Medicinal Chemistry. 32: 968-977. PMID 28718678 DOI: 10.1080/14756366.2017.1347163  0.464
2017 Zhang W, Wu J, Li B, Lian X, Xia J, Zhou Q, Wu S. Design and synthesis of conformationally constrained salinomycin derivatives. European Journal of Medicinal Chemistry. 138: 353-356. PMID 28688275 DOI: 10.1016/j.ejmech.2017.06.063  0.247
2017 Xia J, Feng B, Shao Q, Yuan Y, Wang XS, Chen N, Wu S. Virtual Screening against Phosphoglycerate Kinase 1 in Quest of Novel Apoptosis Inhibitors. Molecules (Basel, Switzerland). 22. PMID 28635653 DOI: 10.3390/Molecules22061029  0.544
2017 Xia J, Hsieh JH, Hu H, Wu S, Wang XS. The Development of Target-Specific Pose Filter Ensembles to Boost Ligand Enrichment for Structure-Based Virtual Screening. Journal of Chemical Information and Modeling. PMID 28511009 DOI: 10.1021/Acs.Jcim.6B00749  0.552
2017 Hu H, Xia J, Wang D, Wang XS, Wu S. A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors. International Journal of Molecular Sciences. 18. PMID 28106794 DOI: 10.3390/Ijms18010137  0.565
2016 Zhang W, Wu J, Li B, Xia J, Wu H, Wang L, Hao J, Zhou Q, Wu S. Synthesis and biological activity evaluation of 20-epi-salinomycin and its 20-O-acyl derivatives Rsc Advances. 6: 41885-41890. DOI: 10.1039/C6RA08967D  0.229
2015 Pei F, Jin H, Zhou X, Xia J, Sun L, Liu Z, Zhang L. Enrichment Assessment of Multiple Virtual Screening Strategies for Toll-Like Receptor 8 Agonists Based on a Maximal Unbiased Benchmarking Data Set. Chemical Biology & Drug Design. PMID 26017460 DOI: 10.1111/Cbdd.12590  0.588
2015 Xia J, Tilahun EL, Kebede EH, Reid TE, Zhang L, Wang XS. Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families. Journal of Chemical Information and Modeling. 55: 374-88. PMID 25633490 DOI: 10.1021/Ci5005515  0.63
2015 Xia J, Tilahun EL, Reid TE, Zhang L, Wang XS. Benchmarking methods and data sets for ligand enrichment assessment in virtual screening. Methods (San Diego, Calif.). 71: 146-57. PMID 25481478 DOI: 10.1016/j.ymeth.2014.11.015  0.625
2014 Xia J, Jin H, Liu Z, Zhang L, Wang XS. An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs. Journal of Chemical Information and Modeling. 54: 1433-50. PMID 24749745 DOI: 10.1021/Ci500062F  0.629
2012 Zhang Z, Tian C, Zhou S, Wang W, Guo Y, Xia J, Liu Z, Wang B, Wang X, Golding BT, Griff RJ, Du Y, Liu J. Mechanism-based design, synthesis and biological studies of N⁵-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential anticancer agents. European Journal of Medicinal Chemistry. 58: 228-36. PMID 23124219 DOI: 10.1016/j.ejmech.2012.09.027  0.315
2012 Zhou Y, Ting KY, Lam CM, Kwong AK, Xia J, Jin H, Liu Z, Zhang L, Cheung Lee H, Zhang L. Design, synthesis and biological evaluation of noncovalent inhibitors of human CD38 NADase. Chemmedchem. 7: 223-8. PMID 22287152 DOI: 10.1002/Cmdc.201100487  0.496
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