Year |
Citation |
Score |
2023 |
Yan YH, Ding HS, Zhu KR, Mu BS, Zheng Y, Huang MY, Zhou C, Li WF, Wang Z, Wu Y, Li GB. Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-β-lactamase inhibitors. European Journal of Medicinal Chemistry. 257: 115473. PMID 37209449 DOI: 10.1016/j.ejmech.2023.115473 |
0.346 |
|
2023 |
Deng J, Liu ZM, Zhu KR, Cui GL, Liu LX, Yan YH, Ning XL, Yu ZJ, Li GB, Qi QR. New ε-N-thioglutaryl-lysine derivatives as SIRT5 inhibitors: Chemical synthesis, kinetic and crystallographic studies. Bioorganic Chemistry. 135: 106487. PMID 36996510 DOI: 10.1016/j.bioorg.2023.106487 |
0.323 |
|
2022 |
Li R, Su H, Chen W, Yan YH, Zhou C, Mou L, Yang H, Qian S, Wang Z, Yang L, Li GB. Design, Synthesis, and Biological Evaluation of New 1H-Imidazole-2-Carboxylic Acid Derivatives as Metallo-β-Lactamase Inhibitors. Bioorganic & Medicinal Chemistry. 72: 116993. PMID 36084491 DOI: 10.1016/j.bmc.2022.116993 |
0.313 |
|
2021 |
Yang F, Su H, Deng J, Mou L, Wang H, Li R, Dai QQ, Yan YH, Qian S, Wang Z, Li GB, Yang L. Discovery of new human Sirtuin 5 inhibitors by mimicking glutaryl-lysine substrates. European Journal of Medicinal Chemistry. 225: 113803. PMID 34461505 DOI: 10.1016/j.ejmech.2021.113803 |
0.326 |
|
2021 |
Dai Q, Yan Y, Ning X, Li G, Yu J, Deng J, Yang L, Li GB. AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo--lactamases and indoleamine/tryptophan 2,3-dioxygenases. Acta Pharmaceutica Sinica. B. 11: 1931-1946. PMID 34386329 DOI: 10.1016/j.apsb.2021.01.018 |
0.302 |
|
2020 |
Yan YH, Chen J, Zhan Z, Yu ZJ, Li G, Guo L, Li GB, Wu Y, Zheng Y. Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-β-lactamase inhibitors. Rsc Advances. 10: 31377-31384. PMID 35520685 DOI: 10.1039/d0ra06405j |
0.333 |
|
2020 |
Sun Y, Liao X, Huang Z, Xie Y, Liu Y, Ma C, Jiang B, Zhang L, Yan Y, Li G, Cheng X, Yin Q, Ding CZ, Shen L, Li J, et al. Therapeutic effect and mechanisms of the novel monosulfactam 0073. Antimicrobial Agents and Chemotherapy. PMID 32718961 DOI: 10.1128/Aac.00529-20 |
0.347 |
|
2020 |
Yang LL, Wang HL, Yan YH, Liu S, Yu ZJ, Huang MY, Luo Y, Zheng X, Yu Y, Li GB. Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery. European Journal of Medicinal Chemistry. 192: 112201. PMID 32163813 DOI: 10.1016/J.Ejmech.2020.112201 |
0.391 |
|
2020 |
Yan YH, Li G, Li GB. Principles and current strategies targeting metallo-β-lactamase mediated antibacterial resistance. Medicinal Research Reviews. PMID 32100311 DOI: 10.1002/Med.21665 |
0.382 |
|
2020 |
Yan Y, Chen J, Zhan Z, Yu Z, Li G, Guo L, Li G, Wu Y, Zheng Y. Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-β-lactamase inhibitors Rsc Advances. 10: 31377-31384. DOI: 10.1039/D0Ra06405J |
0.416 |
|
2019 |
Wang YL, Liu S, Yu ZJ, Lei Y, Huang MY, Yan YH, Ma Q, Zheng Y, Deng H, Sun Y, Wu C, Yu Y, Chen Q, Wang Z, Wu Y, ... Li GB, et al. Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-β-Lactamases. Journal of Medicinal Chemistry. PMID 31269398 DOI: 10.1021/acs.jmedchem.9b00735 |
0.308 |
|
2019 |
Yang LL, Xu W, Yan J, Su HL, Yuan C, Li C, Zhang X, Yu ZJ, Yan YH, Yu Y, Chen Q, Wang Z, Li L, Qian S, Li GB. Crystallographic and SAR analyses reveal the high requirements needed to selectively and potently inhibit SIRT2 deacetylase and decanoylase. Medchemcomm. 10: 164-168. PMID 30774863 DOI: 10.1039/C8Md00462E |
0.391 |
|
2019 |
Wang Y, Liu S, Yu Z, Lei Y, Huang M, Yan Y, Ma Q, Zheng Y, Deng H, Sun Y, Wu C, Yu Y, Chen Q, Wang Z, Wu Y, ... Li G, et al. Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-Lactamases. Journal of Medicinal Chemistry. 62: 7160-7184. DOI: 10.2210/Pdb6J8R/Pdb |
0.406 |
|
2018 |
Zhou X, Wu M, Xie Y, Li GB, Li T, Xie R, Wang K, Zhang Y, Zou C, Wu W, Wang Q, Wang X, Zhang X, Li J, Li J, et al. Identification of Glycine Receptor α3 as a Colchicine-Binding Protein. Frontiers in Pharmacology. 9: 1238. PMID 30467477 DOI: 10.3389/Fphar.2018.01238 |
0.308 |
|
2018 |
Yang LL, Wang HL, Zhong L, Yuan C, Liu SY, Yu ZJ, Liu S, Yan YH, Wu C, Wang Y, Wang Z, Yu Y, Chen Q, Li GB. X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. European Journal of Medicinal Chemistry. 155: 806-823. PMID 29957526 DOI: 10.1016/j.ejmech.2018.06.041 |
0.303 |
|
2018 |
Yu ZJ, Liu S, Zhou S, Li H, Yang F, Yang LL, Wu Y, Guo L, Li GB. Virtual target screening reveals rosmarinic acid and salvianolic acid A inhibiting metallo- and serine-β-lactamases. Bioorganic & Medicinal Chemistry Letters. PMID 29477271 DOI: 10.1016/J.Bmcl.2018.02.025 |
0.342 |
|
2018 |
Zhou S, Li GB, Luo L, Zhong L, Chen K, Li H, Jiang XJ, Fu Q, Long X, Bao JK. Structure-based discovery of new maternal embryonic leucine zipper kinase inhibitors. Organic & Biomolecular Chemistry. PMID 29411820 DOI: 10.1039/C7Ob02344H |
0.378 |
|
2018 |
Banerjee S, Arnst KE, Wang Y, Kumar G, Deng S, Yang L, Li GB, Yang J, White SW, Li W, Miller DD. Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Anti-Tumor Efficacy. Journal of Medicinal Chemistry. PMID 29406710 DOI: 10.1021/Acs.Jmedchem.7B01858 |
0.386 |
|
2018 |
Liu S, Jing L, Yu ZJ, Wu C, Zheng Y, Zhang E, Chen Q, Yu Y, Guo L, Wu Y, Li GB. ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-β-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. European Journal of Medicinal Chemistry. 145: 649-660. PMID 29353720 DOI: 10.1016/J.Ejmech.2018.01.032 |
0.423 |
|
2018 |
Yang L, Wang H, Zhong L, Yuan C, Liu S, Yu Z, Liu S, Yan Y, Wu C, Wang Y, Wang Z, Yu Y, Chen Q, Li G. X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. European Journal of Medicinal Chemistry. 155: 806-823. DOI: 10.2210/Pdb5Yqm/Pdb |
0.403 |
|
2018 |
Zhang C, Pu Y, Yu Z, Wu C, Brem J, McDonough MA, Schofield CJ, Li G, Wu Y. Rh(iii)-Catalyzed directed C–H carbenoid coupling reveals aromatic bisphosphonates inhibiting metallo- and Serine-β-lactamases Organic Chemistry Frontiers. 5: 1288-1292. DOI: 10.1039/C8Qo00009C |
0.323 |
|
2018 |
Yang Z, Zhang Y, Chen X, Li W, Li G, Wu Y. Total Synthesis and Evaluation of B‐Homo Palmatine and Berberine Derivatives as p300 Histone Acetyltransferase Inhibitors European Journal of Organic Chemistry. 2018: 1041-1052. DOI: 10.1002/Ejoc.201701693 |
0.305 |
|
2017 |
Zhang N, Zhang G, Liu N, Lin W, Ji S, Zheng M, Chen K, Liang X, Li G, Ma Y, Zhu J, Niu T, Li LL, Li J, Wei YQ, et al. A novel orally available Syk/Src/Jak2 inhibitor, SKLB-850, showed potent anti-tumor activities in B cell lymphoma (BCL) models. Oncotarget. 8: 111495-111507. PMID 29340070 DOI: 10.18632/Oncotarget.22847 |
0.37 |
|
2017 |
Liu S, Ji S, Yu ZJ, Wang HL, Cheng X, Li WJ, Jing L, Yu Y, Chen Q, Yang LL, Li GB, Wu Y. Structure-based discovery of new selective small molecule sirtuin 5 inhibitors. Chemical Biology & Drug Design. PMID 28756638 DOI: 10.1111/Cbdd.13077 |
0.434 |
|
2017 |
Li GB, Yu ZJ, Liu S, Huang LY, Yang LL, Lohans CT, Yang SY. IFPTarget: A Customized Virtual Target Identification Method Based on Protein-Ligand Interaction Fingerprinting Analyses. Journal of Chemical Information and Modeling. PMID 28661143 DOI: 10.1021/Acs.Jcim.7B00225 |
0.328 |
|
2017 |
Wang Y, Yu Y, Li GB, Li SA, Wu C, Gigant B, Qin W, Chen H, Wu Y, Chen Q, Yang J. Mechanism of microtubule stabilization by taccalonolide AJ. Nature Communications. 8: 15787. PMID 28585532 DOI: 10.1038/Ncomms15787 |
0.302 |
|
2017 |
Li GB, Brem J, Lesniak R, Abboud MI, Lohans CT, Clifton IJ, Yang SY, Jiménez-Castellanos JC, Avison MB, Spencer J, McDonough MA, Schofield CJ. Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-β-lactamase inhibition. Chemical Communications (Cambridge, England). PMID 28470248 DOI: 10.1039/C7Cc02394D |
0.401 |
|
2017 |
Li GB, Abboud MI, Brem J, Someya H, Lohans CT, Yang SY, Spencer J, Wareham DW, McDonough MA, Schofield CJ. NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors. Chemical Science. 8: 928-937. PMID 28451231 DOI: 10.1039/C6Sc04524C |
0.4 |
|
2017 |
Yang L, Ma X, Yuan C, He Y, Li L, Fang S, Xia W, He T, Qian S, Xu Z, Li G, Wang Z. Discovery of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-phenylacetamide derivatives as new potent and selective human sirtuin 2 inhibitors. European Journal of Medicinal Chemistry. 134: 230-241. PMID 28415012 DOI: 10.1016/J.Ejmech.2017.04.010 |
0.396 |
|
2017 |
Abboud MI, Hinchliffe P, Brem J, Macsics R, Pfeffer I, Makena A, Umland KD, Rydzik AM, Li GB, Spencer J, Claridge TD, Schofield CJ. (19) F-NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the São Paulo Metallo-β-Lactamase. Angewandte Chemie (International Ed. in English). PMID 28252254 DOI: 10.1002/Anie.201612185 |
0.325 |
|
2017 |
Wang H, Liu S, Yu Z, Wu C, Cheng L, Wang Y, Chen K, Zhou S, Chen Q, Yu Y, Li G. Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design Rsc Advances. 7: 36214-36222. DOI: 10.1039/C7Ra05824A |
0.333 |
|
2016 |
Yang L, Ma X, He Y, Yuan C, Chen Q, Li G, Chen X. Sirtuin 5: a review of structure, known inhibitors and clues for developing new inhibitors. Science China. Life Sciences. PMID 27858336 DOI: 10.1007/S11427-016-0060-7 |
0.356 |
|
2016 |
Qian S, He T, Wang W, He Y, Zhang M, Yang L, Li G, Wang Z. Discovery and preliminary structure-activity relationship of 1H-indazoles with promising indoleamine-2,3-dioxygenase 1 (IDO1) inhibition properties. Bioorganic & Medicinal Chemistry. PMID 27769672 DOI: 10.1016/J.Bmc.2016.10.003 |
0.401 |
|
2016 |
Li GB, Ma S, Yang LL, Ji S, Fang Z, Zhang G, Wang LJ, Zhong JM, Xiong Y, Wang JH, Huang SZ, Li LL, Xiang R, Niu D, Chen YC, et al. Drug Discovery against Psoriasis: Identification of a New Potent FMS-like Tyrosine Kinase 3 (FLT3) Inhibitor, 1-(4-((1H-pyrazolo[3,4-d]pyrimidin-4-yl)oxy)-3-fluorophenyl)-3-(5-(tert-butyl)isoxazol-3-yl)urea, That Showed Potent Activity in a Psoriatic Animal Model. Journal of Medicinal Chemistry. PMID 27535613 DOI: 10.1021/Acs.Jmedchem.6B00604 |
0.392 |
|
2016 |
Li G, Huang L, Li H, Ji S, Li L, Yang S. Identification of new p300 histone acetyltransferase inhibitors from natural products by a customized virtual screening method Rsc Advances. 6: 61137-61140. DOI: 10.1039/C6Ra11240D |
0.301 |
|
2015 |
Yang T, Chen G, Sang Z, Liu Y, Yang X, Chang Y, Long H, Ang W, Tang J, Wang Z, Li G, Yang SY, Zhang J, Wei Y, Luo Y. Discovery of a teraryl oxazolidinone compound (S)-N-((3-(3-fluoro- 4-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl) acetamide phosphate as a novel antimicrobial agent with enhanced safety profile and efficacies. Journal of Medicinal Chemistry. PMID 26212502 DOI: 10.1021/Acs.Jmedchem.5B00152 |
0.33 |
|
2015 |
Zhang CH, Zheng MW, Li YP, Lin XD, Huang M, Zhong L, Li GB, Zhang RJ, Lin WT, Jiao Y, Wu XA, Yang J, Xiang R, Chen LJ, Zhao YL, et al. Design, Synthesis, and Structure-Activity Relationship Studies of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as a New Class of Src Inhibitors with Potent Activities in Models of Triple Negative Breast Cancer. Journal of Medicinal Chemistry. 58: 3957-74. PMID 25835317 DOI: 10.1021/Acs.Jmedchem.5B00270 |
0.414 |
|
2015 |
Li GB, Ji S, Yang LL, Zhang RJ, Chen K, Zhong L, Ma S, Yang SY. LEADOPT: an automatic tool for structure-based lead optimization, and its application in structural optimizations of VEGFR2 and SYK inhibitors. European Journal of Medicinal Chemistry. 93: 523-38. PMID 25743214 DOI: 10.1016/J.Ejmech.2015.02.019 |
0.363 |
|
2015 |
Li GB, Yang LL, Yuan Y, Zou J, Cao Y, Yang SY, Xiang R, Xiang M. Virtual screening in small molecule discovery for epigenetic targets. Methods (San Diego, Calif.). 71: 158-66. PMID 25462557 DOI: 10.1016/J.Ymeth.2014.11.010 |
0.339 |
|
2015 |
Sun H, Wang X, Li G, Zhang L, Liu J, Zhao L. Design, synthesis and biological evaluation of novel C3-functionalized oxindoles as potential Pim-1 kinase inhibitors Rsc Advances. 5: 29456-29466. DOI: 10.1039/C5Ra00177C |
0.413 |
|
2014 |
Xia Y, Lei Q, Zhu Y, Ye T, Wang N, Li G, Shi X, Liu Y, Shao B, Yin T, Zhao L, Wu W, Song X, Xiong Y, Wei Y, et al. SKLB316, a novel small-molecule inhibitor of cell-cycle progression, induces G2/M phase arrest and apoptosis in vitro and inhibits tumor growth in vivo. Cancer Letters. 355: 297-309. PMID 25301449 DOI: 10.1016/J.Canlet.2014.09.042 |
0.326 |
|
2014 |
Xia Y, Song X, Li D, Ye T, Xu Y, Lin H, Meng N, Li G, Deng S, Zhang S, Liu L, Zhu Y, Zeng J, Lei Q, Pan Y, et al. YLT192, a novel, orally active bioavailable inhibitor of VEGFR2 signaling with potent antiangiogenic activity and antitumor efficacy in preclinical models. Scientific Reports. 4: 6031. PMID 25112436 DOI: 10.1038/Srep06031 |
0.355 |
|
2013 |
Li GB, Yang LL, Xu Y, Wang WJ, Li LL, Yang SY. A combined molecular docking-based and pharmacophore-based target prediction strategy with a probabilistic fusion method for target ranking. Journal of Molecular Graphics & Modelling. 44: 278-85. PMID 23933279 DOI: 10.1016/J.Jmgm.2013.07.005 |
0.315 |
|
2013 |
Chen X, Ji P, Yang HW, Yang LL, Zhou S, Zhong L, Ma S, Fu XY, Zhou C, Li GB, Zheng MW, Wei YQ, Yang SY. SC-535, a novel oral multikinase inhibitor, showed potent antitumor activity in human melanoma models. Cellular Physiology and Biochemistry : International Journal of Experimental Cellular Physiology, Biochemistry, and Pharmacology. 32: 138-53. PMID 23867251 DOI: 10.1159/000350123 |
0.357 |
|
2013 |
Xu Y, Lin H, Meng N, Lu W, Li G, Han Y, Dai X, Xia Y, Song X, Yang S, Wei Y, Yu L, Zhao Y. YL529, a novel, orally available multikinase inhibitor, potently inhibits angiogenesis and tumour growth in preclinical models. British Journal of Pharmacology. 169: 1766-80. PMID 23594209 DOI: 10.1111/Bph.12216 |
0.358 |
|
2013 |
Yang LL, Li GB, Ma S, Zou C, Zhou S, Sun QZ, Cheng C, Chen X, Wang LJ, Feng S, Li LL, Yang SY. Structure-activity relationship studies of pyrazolo[3,4-d]pyrimidine derivatives leading to the discovery of a novel multikinase inhibitor that potently inhibits FLT3 and VEGFR2 and evaluation of its activity against acute myeloid leukemia in vitro and in vivo. Journal of Medicinal Chemistry. 56: 1641-55. PMID 23362959 DOI: 10.1021/Jm301537P |
0.398 |
|
2012 |
Yang LL, Li GB, Yan HX, Sun QZ, Ma S, Ji P, Wang ZR, Feng S, Zou J, Yang SY. Discovery of N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors using common-feature pharmacophore model based virtual screening and hit-to-lead optimization. European Journal of Medicinal Chemistry. 56: 30-8. PMID 22944772 DOI: 10.1016/J.Ejmech.2012.08.007 |
0.377 |
|
2012 |
Sun Y, Ji Z, Liang X, Li G, Yang S, Wei S, Zhao Y, Hu X, Fan J. Studies on the binding of rhaponticin with human serum albumin by molecular spectroscopy, modeling and equilibrium dialysis. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 87: 171-8. PMID 22169567 DOI: 10.1016/J.Saa.2011.11.033 |
0.303 |
|
2011 |
Li GB, Yang LL, Feng S, Zhou JP, Huang Q, Xie HZ, Li LL, Yang SY. Discovery of novel mGluR1 antagonists: a multistep virtual screening approach based on an SVM model and a pharmacophore hypothesis significantly increases the hit rate and enrichment factor. Bioorganic & Medicinal Chemistry Letters. 21: 1736-40. PMID 21316965 DOI: 10.1016/J.Bmcl.2011.01.087 |
0.305 |
|
Show low-probability matches. |