Year |
Citation |
Score |
2023 |
Chapagai D, Merhej G, McInnes C, Wyatt MD. Structural Basis for Variations in Polo-like Kinase 1 Conformation and Intracellular Stability Induced by ATP-Competitive and Novel Noncompetitive Abbapolin Inhibitors. Acs Chemical Biology. 18: 1642-1652. PMID 37433100 DOI: 10.1021/acschembio.3c00269 |
0.399 |
|
2023 |
Chen M, Li J, Zhang L, Wang L, Cheng C, Ji H, Altilia S, Ding X, Cai G, Altomare D, Shtutman M, Byrum SD, Mackintosh SG, Feoktistov A, Soshnikova N, ... ... McInnes C, et al. CDK8 and CDK19: positive regulators of signal-induced transcription and negative regulators of Mediator complex proteins. Nucleic Acids Research. PMID 37378433 DOI: 10.1093/nar/gkad538 |
0.308 |
|
2022 |
Stafford JM, Wyatt MD, McInnes C. Inhibitors of the PLK1 Polo-Box domain: drug design strategies and therapeutic opportunities in cancer. Expert Opinion On Drug Discovery. PMID 36524399 DOI: 10.1080/17460441.2023.2159942 |
0.352 |
|
2021 |
Craig SN, Baxter M, Chapagai D, Stafford JM, Nurmemmedov E, Altomare D, Wyatt MD, McInnes C. Structure-activity and mechanistic studies of non-peptidic inhibitors of the PLK1 polo box domain identified through REPLACE. European Journal of Medicinal Chemistry. 227: 113926. PMID 34735919 DOI: 10.1016/j.ejmech.2021.113926 |
0.309 |
|
2021 |
Chapagai D, Ramamoorthy G, Varghese J, Nurmemmedov E, McInnes C, Wyatt MD. Nonpeptidic, Polo-Box Domain-Targeted Inhibitors of PLK1 Block Kinase Activity, Induce Its Degradation and Target-Resistant Cells. Journal of Medicinal Chemistry. PMID 34210138 DOI: 10.1021/acs.jmedchem.1c00133 |
0.376 |
|
2020 |
Brummer T, McInnes C. RAF kinase dimerization: implications for drug discovery and clinical outcomes. Oncogene. PMID 32269299 DOI: 10.1038/S41388-020-1263-Y |
0.414 |
|
2020 |
Baxter M, Chapagai D, Craig S, Hurtado C, Varghese J, Nurmemmedov E, Wyatt MD, McInnes C. Peptidomimetic Polo-Box targeted inhibitors that engage PLK1 in tumor cells and are selective against the PLK3 tumor suppressor. Chemmedchem. PMID 32232973 DOI: 10.1002/Cmdc.202000137 |
0.514 |
|
2019 |
Beneker CM, Rovoli M, Kontopidis G, Röring M, Galda S, Braun S, Brummer T, McInnes C. Design and Synthesis of Type-IV Inhibitors of BRAF Kinase That Block Dimerization and Overcome Paradoxical MEK/ERK Activation. Journal of Medicinal Chemistry. 62: 3886-3897. PMID 30977659 DOI: 10.1021/Acs.Jmedchem.8B01288 |
0.461 |
|
2019 |
Chapagai DP, Baxter M, Ramamoorthy G, McInnes C, Wyatt M. Abstract 4712: Selective polo-like kinase 1 PBD inhibitor Cancer Research. 79: 4712-4712. DOI: 10.1158/1538-7445.Am2019-4712 |
0.537 |
|
2018 |
Pearson RJ, Blake DG, Mezna M, Fischer PM, Westwood NJ, McInnes C. The Meisenheimer Complex as a Paradigm in Drug Discovery: Reversible Covalent Inhibition through C67 of the ATP Binding Site of PLK1. Cell Chemical Biology. PMID 30017915 DOI: 10.1016/J.Chembiol.2018.06.001 |
0.517 |
|
2016 |
Gao J, Midde N, Zhu J, Terry AV, McInnes C, Chapman JM. Synthesis and biological evaluation of ranitidine analogs as multiple-target-directed cognitive enhancers for the treatment of Alzheimer's disease. Bioorganic & Medicinal Chemistry Letters. PMID 27769620 DOI: 10.1016/J.Bmcl.2016.09.072 |
0.414 |
|
2016 |
Premnath PN, Craig SN, Liu S, McInnes C. Benzamide capped peptidomimetics as non-ATP competitive inhibitors of CDK2 using the REPLACE strategy. Bioorganic & Medicinal Chemistry Letters. PMID 27297568 DOI: 10.1016/J.Bmcl.2016.05.067 |
0.528 |
|
2015 |
Nandha Premnath P, Craig S, McInnes C. Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors. Journal of Visualized Experiments : Jove. PMID 26554946 DOI: 10.3791/52441 |
0.523 |
|
2015 |
Grigoroudis AI, McInnes C, Premnath PN, Kontopidis G. Efficient soluble expression of active recombinant human cyclin A2 mediated by E. coli molecular chaperones. Protein Expression and Purification. 113: 8-16. PMID 25956535 DOI: 10.1016/J.Pep.2015.01.013 |
0.404 |
|
2015 |
Premnath PN, Craig SN, Liu S, Anderson EL, Grigoroudis AI, Kontopidis G, Perkins TL, Wyatt MD, Pittman DL, McInnes C. Iterative conversion of cyclin binding groove peptides into druglike CDK inhibitors with antitumor activity. Journal of Medicinal Chemistry. 58: 433-42. PMID 25454794 DOI: 10.1021/Jm5015023 |
0.541 |
|
2014 |
Papaneophytou CP, Grigoroudis AI, McInnes C, Kontopidis G. Quantification of the effects of ionic strength, viscosity, and hydrophobicity on protein-ligand binding affinity. Acs Medicinal Chemistry Letters. 5: 931-6. PMID 25147617 DOI: 10.1021/Ml500204E |
0.35 |
|
2014 |
Craig SN, Wyatt MD, McInnes C. Current assessment of polo-like kinases as anti-tumor drug targets. Expert Opinion On Drug Discovery. 9: 773-89. PMID 24819909 DOI: 10.1517/17460441.2014.918100 |
0.42 |
|
2014 |
Premnath PN, Liu S, Perkins T, Abbott J, Anderson E, McInnes C. Fragment based discovery of arginine isosteres through REPLACE: towards non-ATP competitive CDK inhibitors. Bioorganic & Medicinal Chemistry. 22: 616-22. PMID 24286762 DOI: 10.1016/J.Bmc.2013.10.039 |
0.491 |
|
2014 |
Baxer M, Craig S, McInnes C, Wyatt M. Abstract 4574: Polo box-targeted PLK1 inhibitors: structure activity relationships and activity in cells resistant to ATP-based inhibitors Cancer Research. 74: 4574-4574. DOI: 10.1158/1538-7445.Am2014-4574 |
0.511 |
|
2013 |
Wang P, McInnes C, Zhu BT. Structural characterization of the binding interactions of various endogenous estrogen metabolites with human estrogen receptor α and β subtypes: a molecular modeling study. Plos One. 8: e74615. PMID 24098659 DOI: 10.1371/Journal.Pone.0074615 |
0.347 |
|
2013 |
Liu S, Premnath PN, Bolger JK, Perkins TL, Kirkland LO, Kontopidis G, McInnes C. Optimization of non-ATP competitive CDK/cyclin groove inhibitors through REPLACE-mediated fragment assembly Journal of Medicinal Chemistry. 56: 1573-1582. PMID 23323521 DOI: 10.1021/Jm3013882 |
0.495 |
|
2013 |
Baxter M, Craig S, McInnes C, Wyatt MD. Abstract 2156: Targeting polo-like kinase 1 with novel inhibitors of the polo-box domain. Cancer Research. 73: 2156-2156. DOI: 10.1158/1538-7445.Am2013-2156 |
0.525 |
|
2012 |
McInnes C, Estes K, Baxter M, Yang Z, Farag DB, Johnston P, Lazo JS, Wang J, Wyatt MD. Targeting subcellular localization through the polo-box domain: non-ATP competitive inhibitors recapitulate a PLK1 phenotype. Molecular Cancer Therapeutics. 11: 1683-92. PMID 22848093 DOI: 10.1158/1535-7163.Mct-12-0006-T |
0.526 |
|
2012 |
Smith MA, McInnes C, Whitaker RM, Lindsey CC, Comer RF, Beeson CC, Schnellmann RG. Calpain 10 homology modeling with CYGAK and increased lipophilicity leads to greater potency and efficacy in cells. Acs Chemical Biology. 7: 1410-9. PMID 22612451 DOI: 10.1021/Cb300219H |
0.326 |
|
2012 |
McInnes C. Progress in the Development of Non-ATP-Competitive Protein Kinase Inhibitors for Oncology Annual Reports in Medicinal Chemistry. 47: 459-474. DOI: 10.1016/B978-0-12-396492-2.00029-1 |
0.471 |
|
2011 |
McInnes C, Wyatt MD. PLK1 as an oncology target: current status and future potential. Drug Discovery Today. 16: 619-25. PMID 21601650 DOI: 10.1016/J.Drudis.2011.05.002 |
0.429 |
|
2011 |
Liu S, Premnath PN, Bolger JK, Estes K, McInnes C. Abstract LB-198: Design and synthesis of non-ATP competitive inhibitors of CDK4/Cyclin D using REPLACE Cancer Research. 71. DOI: 10.1158/1538-7445.Am2011-Lb-198 |
0.487 |
|
2011 |
Estes K, Yang Z, McInnes C, Wyatt MD. Abstract 3240: Development of non-ATP competitive, PLK1 selective inhibitors Cancer Research. 71: 3240-3240. DOI: 10.1158/1538-7445.Am2011-3240 |
0.514 |
|
2011 |
Repalli J, Chapman J, McInnes C, Berger SH. Abstract 1348: The discovery of novel inhibitors that downregulate human thymidylate synthase Cancer Research. 71: 1348-1348. DOI: 10.1158/1538-7445.Am2011-1348 |
0.386 |
|
2010 |
Wang S, Griffiths G, Midgley CA, Barnett AL, Cooper M, Grabarek J, Ingram L, Jackson W, Kontopidis G, McClue SJ, McInnes C, McLachlan J, Meades C, Mezna M, Stuart I, et al. Discovery and characterization of 2-anilino-4- (thiazol-5-yl)pyrimidine transcriptional CDK inhibitors as anticancer agents. Chemistry & Biology. 17: 1111-21. PMID 21035734 DOI: 10.1016/J.Chembiol.2010.07.016 |
0.491 |
|
2010 |
Liu S, Bolger JK, Kirkland LO, Premnath PN, McInnes C. Structural and functional analysis of cyclin D1 reveals p27 and substrate inhibitor binding requirements. Acs Chemical Biology. 5: 1169-82. PMID 20843055 DOI: 10.1021/Cb1001262 |
0.529 |
|
2010 |
Wang S, Midgley CA, Scaërou F, Grabarek JB, Griffiths G, Jackson W, Kontopidis G, McClue SJ, McInnes C, Meades C, Mezna M, Plater A, Stuart I, Thomas MP, Wood G, et al. Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. Journal of Medicinal Chemistry. 53: 4367-78. PMID 20462263 DOI: 10.1021/Jm901913S |
0.413 |
|
2010 |
McIntyre NA, McInnes C, Griffiths G, Barnett AL, Kontopidis G, Slawin AM, Jackson W, Thomas M, Zheleva DI, Wang S, Blake DG, Westwood NJ, Fischer PM. Design, synthesis, and evaluation of 2-methyl- and 2-amino-N-aryl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amines as ring-constrained 2-anilino-4-(thiazol-5-yl)pyrimidine cyclin-dependent kinase inhibitors. Journal of Medicinal Chemistry. 53: 2136-45. PMID 20146435 DOI: 10.1021/Jm901660C |
0.46 |
|
2009 |
Kontopidis G, Andrews MJ, McInnes C, Plater A, Innes L, Renachowski S, Cowan A, Fischer PM. Truncation and optimisation of peptide inhibitors of cyclin-dependent kinase 2-cyclin a through structure-guided design. Chemmedchem. 4: 1120-8. PMID 19472269 DOI: 10.1002/Cmdc.200900093 |
0.516 |
|
2009 |
Kirkland LO, McInnes C. Non-ATP competitive protein kinase inhibitors as anti-tumor therapeutics. Biochemical Pharmacology. 77: 1561-71. PMID 19167366 DOI: 10.1016/J.Bcp.2008.12.022 |
0.486 |
|
2009 |
Xia Z, Knaak C, Ma J, Beharry ZM, McInnes C, Wang W, Kraft AS, Smith CD. Synthesis and evaluation of novel inhibitors of Pim-1 and Pim-2 protein kinases. Journal of Medicinal Chemistry. 52: 74-86. PMID 19072652 DOI: 10.1021/Jm800937P |
0.433 |
|
2008 |
McInnes C. Progress in the evaluation of CDK inhibitors as anti-tumor agents. Drug Discovery Today. 13: 875-81. PMID 18639646 DOI: 10.1016/J.Drudis.2008.06.012 |
0.434 |
|
2007 |
McInnes C. Virtual screening strategies in drug discovery. Current Opinion in Chemical Biology. 11: 494-502. PMID 17936059 DOI: 10.1016/J.Cbpa.2007.08.033 |
0.309 |
|
2007 |
McInnes C. Recent advances in the structure-guided design of protein kinase inhibitors Frontiers in Drug Design and Discovery. 3: 145-170. |
0.413 |
|
2006 |
Andrews MJ, Kontopidis G, McInnes C, Plater A, Innes L, Cowan A, Jewsbury P, Fischer PM. REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors. Chembiochem : a European Journal of Chemical Biology. 7: 1909-15. PMID 17051658 DOI: 10.1002/Cbic.200600189 |
0.49 |
|
2006 |
McInnes C, Mazumdar A, Mezna M, Meades C, Midgley C, Scaerou F, Carpenter L, Mackenzie M, Taylor P, Walkinshaw M, Fischer PM, Glover D. Inhibitors of Polo-like kinase reveal roles in spindle-pole maintenance. Nature Chemical Biology. 2: 608-17. PMID 17028581 DOI: 10.1038/Nchembio825 |
0.451 |
|
2006 |
McInnes C, Mezna M, Kontopidis G. Catch the kinase conformer. Chemistry & Biology. 13: 693-4. PMID 16873016 DOI: 10.1016/J.Chembiol.2006.07.001 |
0.407 |
|
2006 |
McInnes C. Improved lead-finding for kinase targets using high-throughput docking. Current Opinion in Drug Discovery & Development. 9: 339-47. PMID 16729730 |
0.357 |
|
2006 |
Thomas MP, McInnes C. Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle. Idrugs : the Investigational Drugs Journal. 9: 273-8. PMID 16596481 |
0.417 |
|
2006 |
Kontopidis G, McInnes C, Pandalaneni SR, McNae I, Gibson D, Mezna M, Thomas M, Wood G, Wang S, Walkinshaw MD, Fischer PM. Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design. Chemistry & Biology. 13: 201-11. PMID 16492568 DOI: 10.1016/J.Chembiol.2005.11.011 |
0.508 |
|
2006 |
Thomas MP, McInnes C, Fischer PM. Protein structures in virtual screening: a case study with CDK2. Journal of Medicinal Chemistry. 49: 92-104. PMID 16392795 DOI: 10.1021/Jm050554I |
0.389 |
|
2005 |
Uhrinova S, Uhrin D, Powers H, Watt K, Zheleva D, Fischer P, McInnes C, Barlow PN. Structure of free MDM2 N-terminal domain reveals conformational adjustments that accompany p53-binding. Journal of Molecular Biology. 350: 587-98. PMID 15953616 DOI: 10.1016/J.Jmb.2005.05.010 |
0.393 |
|
2005 |
McInnes C, Fischer PM. Strategies for the design of potent and selective kinase inhibitors. Current Pharmaceutical Design. 11: 1845-63. PMID 15892678 DOI: 10.2174/1381612053764850 |
0.495 |
|
2005 |
McInnes C, Mezna M, Fischer PM. Progress in the discovery of polo-like kinase inhibitors. Current Topics in Medicinal Chemistry. 5: 181-97. PMID 15853646 DOI: 10.2174/1568026053507660 |
0.479 |
|
2005 |
Kontopidis G, Wu SY, Zheleva DI, Taylor P, McInnes C, Lane DP, Fischer PM, Walkinshaw MD. Structural and biochemical studies of human proliferating cell nuclear antigen complexes provide a rationale for cyclin association and inhibitor design. Proceedings of the National Academy of Sciences of the United States of America. 102: 1871-6. PMID 15681588 DOI: 10.1073/Pnas.0406540102 |
0.464 |
|
2004 |
Andrews MJ, McInnes C, Kontopidis G, Innes L, Cowan A, Plater A, Fischer PM. Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes. Organic & Biomolecular Chemistry. 2: 2735-41. PMID 15455144 DOI: 10.1039/B409157D |
0.485 |
|
2004 |
Wang S, Wood G, Meades C, Griffiths G, Midgley C, McNae I, McInnes C, Anderson S, Jackson W, Mezna M, Yuill R, Walkinshaw M, Fischer PM. Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors. Bioorganic & Medicinal Chemistry Letters. 14: 4237-40. PMID 15261277 DOI: 10.1016/J.Bmcl.2004.06.012 |
0.432 |
|
2004 |
McInnes C, Wang S, Anderson S, O'Boyle J, Jackson W, Kontopidis G, Meades C, Mezna M, Thomas M, Wood G, Lane DP, Fischer PM. Structural determinants of CDK4 inhibition and design of selective ATP competitive inhibitors. Chemistry & Biology. 11: 525-34. PMID 15123247 DOI: 10.1016/J.Chembiol.2004.03.022 |
0.494 |
|
2004 |
Wang S, Meades C, Wood G, Osnowski A, Anderson S, Yuill R, Thomas M, Mezna M, Jackson W, Midgley C, Griffiths G, Fleming I, Green S, McNae I, Wu SY, ... McInnes C, et al. 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. Journal of Medicinal Chemistry. 47: 1662-75. PMID 15027857 DOI: 10.1021/Jm0309957 |
0.474 |
|
2004 |
Kontopidis G, Wu S, Zheleva D, Taylor P, McInnes C, Lane D, Fischer P, Walkinshaw M. Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and a rationale for inhibitor design Acta Crystallographica Section a Foundations of Crystallography. 60: s139-s139. DOI: 10.1107/S0108767304097259 |
0.39 |
|
2003 |
Kontopidis G, Andrews MJ, McInnes C, Cowan A, Powers H, Innes L, Plater A, Griffiths G, Paterson D, Zheleva DI, Lane DP, Green S, Walkinshaw MD, Fischer PM. Insights into cyclin groove recognition: complex crystal structures and inhibitor design through ligand exchange. Structure (London, England : 1993). 11: 1537-46. PMID 14656438 DOI: 10.1016/J.Str.2003.11.006 |
0.412 |
|
2003 |
Wu SY, McNae I, Kontopidis G, McClue SJ, McInnes C, Stewart KJ, Wang S, Zheleva DI, Marriage H, Lane DP, Taylor P, Fischer PM, Walkinshaw MD. Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop. Structure (London, England : 1993). 11: 399-410. PMID 12679018 DOI: 10.1016/S0969-2126(03)00060-1 |
0.429 |
|
2003 |
McInnes C, Andrews MJ, Zheleva DI, Lane DP, Fischer PM. Peptidomimetic design of CDK inhibitors targeting the recruitment site of the cyclin subunit. Current Medicinal Chemistry. Anti-Cancer Agents. 3: 57-69. PMID 12678915 DOI: 10.2174/1568011033353506 |
0.489 |
|
2003 |
Zheleva DI, McInnes C, Gavine AL, Zhelev NZ, Fischer PM, Lane DP. Highly potent p21(WAF1)-derived peptide inhibitors of CDK-mediated pRb phosphorylation: delineation and structural insight into their interactions with cyclin A. The Journal of Peptide Research : Official Journal of the American Peptide Society. 60: 257-70. PMID 12383116 DOI: 10.1034/J.1399-3011.2002.21014.X |
0.503 |
|
2002 |
Atkinson GE, Cowan A, McInnes C, Zheleva DI, Fischer PM, Chan WC. Peptide inhibitors of CDK2-cyclin A that target the cyclin recruitment-site: structural variants of the C-terminal Phe. Bioorganic & Medicinal Chemistry Letters. 12: 2501-5. PMID 12182847 DOI: 10.1016/S0960-894X(02)00508-5 |
0.393 |
|
2000 |
McInnes C, Kondejewski LH, Hodges RS, Sykes BD. Development of the structural basis for antimicrobial and hemolytic activities of peptides based on gramicidin S and design of novel analogs using NMR spectroscopy Journal of Biological Chemistry. 275: 14287-14294. PMID 10799508 DOI: 10.1074/Jbc.275.19.14287 |
0.367 |
|
2000 |
McInnes C, Grothe S, O'Connor-McCourt M, Sykes BD. NMR study of the differential contributions of residues of transforming growth factor alpha to association with its receptor Protein Engineering. 13: 143-147. PMID 10775655 DOI: 10.1093/Protein/13.3.143 |
0.358 |
|
1998 |
McInnes C, Wang J, Al Moustafa AE, Yansouni C, O'Connor-McCourt M, Sykes BD. Structure-based minimization of transforming growth factor-α (TGF-α) through NMR analysis of the receptor-bound ligand. Design, solution structure, and activity of TGF-α 8-50 Journal of Biological Chemistry. 273: 27357-27363. PMID 9765263 DOI: 10.1074/Jbc.273.42.27357 |
0.314 |
|
1997 |
McInnes C, Sykes BD. Growth factor receptors: Structure, mechanism, and drug discovery Biopolymers - Peptide Science Section. 43: 339-366. PMID 9566117 DOI: 10.1002/(Sici)1097-0282(1997)43:5<339::Aid-Bip2>3.0.Co;2-W |
0.33 |
|
1996 |
McInnes C, Hoyt DW, Harkins RN, Pagila RN, Debanne MT, O'Connor-McCourt M, Sykes BD. NMR study of the transforming growth factor-alpha (TGF-alpha)-epidermal growth factor receptor complex. Visualization of human TGF-alpha binding determinants through nuclear Overhauser enhancement analysis. The Journal of Biological Chemistry. 271: 32204-11. PMID 8943277 DOI: 10.1074/Jbc.271.50.32204 |
0.314 |
|
1995 |
Campbell AP, McInnes C, Hodges RS, Sykes BD. Comparison of NMR solution structures of the receptor binding domains of Pseudomonas aeruginosa pili strains PAO, KB7, and PAK: Implications for receptor binding and synthetic vaccine design Biochemistry. 34: 16255-16268. PMID 8845350 DOI: 10.2210/Pdb1Kb7/Pdb |
0.371 |
|
1994 |
Mcinnes C, Kay CM, Hodges RS, Sykes BD. Conformational differences between cis and trans proline isomers of a peptide antigen representing the receptor binding domain of Pseudomonas aeruginosa as studied by 1H‐nmr Biopolymers. 34: 1221-1230. PMID 7948734 DOI: 10.1002/Bip.360340910 |
0.304 |
|
1993 |
McInnes C, Sönnichsen FD, Kay CM, Hodges RS, Sykes BD. NMR solution structure and flexibility of a peptide antigen representing the receptor binding domain of Pseudomonas aeruginosa. Biochemistry. 32: 13432-40. PMID 8257679 DOI: 10.1021/Bi00212A008 |
0.34 |
|
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