Identification of novel multitargeted PPARα/γ/δ pan agonists by core hopping of rosiglitazone

References

• Monsalve FA Pyarasani RD Delgado-Lopez F Moore-Carrasco R Peroxisome proliferator-activated receptor targets for the treatment of metabolic diseases Mediators Inflamm 2013 2013 549627 23781121
   PubMed Web of Science ®Google Scholar
• Aleshin S Strokin M Sergeeva M Reiser G Peroxisome proliferator-activated receptor (PPAR) beta/delta, a possible nexus of PPARalpha- and PPARgamma-dependent molecular pathways in neurodegenerative diseases: review and novel hypotheses Neurochem Int 2013 63 4 322 330 23811400
   PubMed Web of Science ®Google Scholar
• Seok H Cha BS Refocusing peroxisome proliferator activated receptor-alpha: a new insight for therapeutic roles in diabetes Diabetes Metab 2013 37 5 326 332
   Google Scholar
• Markt P Petersen RK Flindt EN Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening J Med Chem 2008 51 20 6303 6317 18821746
   PubMed Web of Science ®Google Scholar
• Antonelli A Ferrari SM Fallahi P Monokine induced by interferon gamma (IFNgamma) (CXCL9) and IFNgamma inducible T-cell alpha-chemoattractant (CXCL11) involvement in Graves’ disease and ophthalmopathy: modulation by peroxisome proliferator-activated receptor-gamma agonists J Clin Endocrinol Metab 2009 94 5 1803 1809 19276231
   PubMed Web of Science ®Google Scholar
• Antonelli A Fallahi P Ferrari SM Dedifferentiated thyroid cancer: a therapeutic challenge Biomed Pharmacother 2008 62 8 559 563 18725177
   PubMed Web of Science ®Google Scholar
• Eldor R DeFronzo RA Abdul-Ghani M In vivo actions of peroxisome proliferator-activated receptors: glycemic control, insulin sensitivity, and insulin secretion Diabetes Care 2013 36 Suppl 2 162 174
   PubMed Web of Science ®Google Scholar
• Kostapanos MS Kei A Elisaf MS Current role of fenofibrate in the prevention and management of non-alcoholic fatty liver disease World J Gastroentero 2013 5 9 470 478
   Google Scholar
• Lewis SN Brannan L Guri AJ Dietary alpha-eleostearic acid ameliorates experimental inflammatory bowel disease in mice by activating peroxisome proliferator-activated receptor-gamma PLoS One 2011 6 8 e24031 21904603
   PubMed Web of Science ®Google Scholar
• Nissen SE Wolski K Effect of rosiglitazone on the risk of myocardial infarction and death from cardiovascular causes N Engl J Med 2007 356 24 2457 2471 17517853
   PubMed Web of Science ®Google Scholar
• Wickens P Zhang C Ma X Indanylacetic acids as PPAR-delta activator insulin sensitizers Bioorg Med Chem Lett 2007 17 15 4369 4373 17601734
   PubMed Web of Science ®Google Scholar
• Batista FA Trivella DB Bernardes A Structural insights into human peroxisome proliferator activated receptor delta (PPAR-delta) selective ligand binding PloS One 2012 7 5 e33643 22606221
   PubMed Web of Science ®Google Scholar
• Rubenstrunk A Hanf R Hum DW Fruchart JC Staels B Safety issues and prospects for future generations of PPAR modulators Biochim Biophys Acta 2007 1771 8 1065 1081 17428730
   PubMed Web of Science ®Google Scholar
• Ma Y Wang SQ Xu WR Wang RL Chou KC Design novel dual agonists for treating type-2 diabetes by targeting peroxisome proliferator-activated receptors with core hopping approach PloS One 2012 7 6 e38546 22685582
   PubMed Web of Science ®Google Scholar
• Cronet P Petersen JF Folmer R Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ242; ligand selectivity and agonist activation in the PPAR family Structure 2001 9 8 699 706 11587644
   PubMed Web of Science ®Google Scholar
• Nolte RT Wisely GB Westin S Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-gamma Nature 1998 395 6698 137 143 9744270
   PubMed Web of Science ®Google Scholar
• Oyama T Toyota K Waku T Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr D Biol Crystallogr 2009 65 Pt 8 786 795 19622862
   PubMedGoogle Scholar
• Banks JL Beard HS Cao Y Integrated modeling program, applied chemical theory (IMPACT) J Comput Chem 2005 26 16 1752 1780 16211539
   PubMed Web of Science ®Google Scholar
• Zapata-Sudo G Lima LM Pereira SL Docking, synthesis and anti-diabetic activity of novel sulfonylhydrazone derivatives designed as PPAR-gamma agonists Curr Top Med Chem 2012 12 19 2037 2048 23167793
   PubMed Web of Science ®Google Scholar
• Cai L Wang Y Wang JF Chou KC Identification of proteins interacting with human SP110 during the process of viral infections Med Chem 2011 7 2 121 126 21222611
   PubMed Web of Science ®Google Scholar
• Chou KC Wei DQ Zhong WZ Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS Biochem Bioph Res Co 2003 308 1 148 151
   PubMed Web of Science ®Google Scholar
• Liao QH Gao QZ Wei J Chou KC Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on epidermal growth factor receptor (EGFR) Med Chem 2011 7 1 24 31 21235516
   PubMed Web of Science ®Google Scholar
• Irwin JJ Shoichet BK ZINC – a free database of commercially available compounds for virtual screening J Chem Inf Model 2005 45 1 177 182 15667143
   PubMed Web of Science ®Google Scholar
• da Silva FM dos Santos JC Campos JL Structure-based identification of novel PPAR gamma ligands Bioorg Med Chem Lett 2013 23 21 5795 5802 24075729
   PubMed Web of Science ®Google Scholar
• Nevin DK Peters MB Carta G Fayne D Lloyd DG Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds J Med Chem 2012 55 11 4978 4989 22582973
   PubMed Web of Science ®Google Scholar
• Guasch L Sala E Mulero M Identification of PPARgamma partial agonists of natural origin (II): in silico prediction in natural extracts with known antidiabetic activity PloS One 2013 8 2 e55889 23405231
   PubMed Web of Science ®Google Scholar
• Guasch L Sala E Castell-Auvi A Identification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validation PloS One 2012 7 11 e50816 23226391
   PubMed Web of Science ®Google Scholar
• Fruchart JC Selective peroxisome proliferator-activated receptor alpha modulators (SPPARMalpha): the next generation of peroxisome proliferator-activated receptor alpha agonists Cardiovasc Diabetol 2013 12 82 23721199
   PubMed Web of Science ®Google Scholar
• Liu L Ma Y Wang RL Xu WR Wang SQ Chou KC Find novel dual-agonist drugs for treating type 2 diabetes by means of cheminformatics Drug Des Dev Ther 2013 7 279 288
   PubMed Web of Science ®Google Scholar
• Schuttelkopf AW van Aalten DM PRODRG: a tool for high-throughput crystallography of protein-ligand complexes Acta Crystallogr D Biol Crystallogr 2004 60 Pt 8 1355 1363 15272157
   PubMedGoogle Scholar
• Bernardes A Souza PC Muniz JR Molecular mechanism of peroxisome proliferator-activated receptor alpha activation by WY14643: a new mode of ligand recognition and receptor stabilization J Mol Biol 2013 425 16 2878 2893 23707408
   PubMed Web of Science ®Google Scholar
• Puhl AC Bernardes A Silveira RL Mode of peroxisome proliferator-activated receptor gamma activation by luteolin Mol Pharmacol 2012 81 6 788 799 22391103
   PubMed Web of Science ®Google Scholar
• Kouskoumvekaki I Petersen RK Fratev F Discovery of a novel selective PPARgamma ligand with partial agonist binding properties by integrated in silico/in vitro work flow J Chem Inf Model 2013 53 4 923 937 23432662
   PubMed Web of Science ®Google Scholar
• Lian P Wei DQ Wang JF Chou KC An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes PloS One 2011 6 4 e18587 21525996
   PubMed Web of Science ®Google Scholar
• Wang YJ Wang JF Ping J Computational studies on the substrate interactions of influenza A virus PB2 subunit PloS One 2012 7 9 e44079 22957044
   PubMed Web of Science ®Google Scholar
• Li XB Wang SQ Xu WR Wang RL Chou KC Novel inhibitor design for hemagglutinin against H1N1 influenza virus by core hopping method PloS One 2011 6 11 e28111 22140516
   PubMed Web of Science ®Google Scholar
• Issemann I Prince RA Tugwood JD Green S The peroxisome proliferator-activated receptor: retinoid X receptor heterodimer is activated by fatty acids and fibrate hypolipidaemic drugs J Mol Endocrinol 1993 11 1 37 47 8240670
   PubMed Web of Science ®Google Scholar
• Feng G Evangelisti L Favero LB Grabow JU Xia Z Caminati W On the weak O-H⋯halogen hydrogen bond: a rotational study of CH3CHClF⋯H2O Phys Chem Chem Phys 2011 13 31 14092 14096 21597624
   PubMed Web of Science ®Google Scholar
• Taylor R Life-science applications of the cambridge structural database Acta Crystallogr D Biol Crystallogr 2002 58 Pt 61 879 888 12037325
   PubMedGoogle Scholar
• Eghdamian B Ghose K Mode of action and adverse effects of lipid lowering drugs Drug Today 1998 34 11 943 956
   Web of Science ®Google Scholar
• Lipinski CA Chris lipinski discusses life and chemistry after the rule of five Drug Discov Today 2003 8 1 12 16 12546981
   PubMed Web of Science ®Google Scholar
• Egan WJ Lauri G Prediction of intestinal permeability Adv Drug Deliv Rev 2002 54 3 273 289 11922948
   PubMed Web of Science ®Google Scholar