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 |
0.553 |
|
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 |
0.347 |
|
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 |
0.524 |
|
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 |
0.4 |
|
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 |
0.436 |
|
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 |
0.602 |
|
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 |
0.441 |
|
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 |
0.458 |
|
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 |
0.535 |
|
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 |
0.63 |
|
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 |
0.552 |
|
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 |
0.322 |
|
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 |
0.465 |
|
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 |
0.545 |
|
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 |
0.566 |
|
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 |
0.589 |
|
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 |
0.626 |
|
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 |
0.63 |
|
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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