Feeling Nature's PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS).
暂无分享,去创建一个
[1] M. Gross,et al. Balance of beneficial and deleterious health effects of quinones: a case study of the chemical properties of genistein and estrone quinones. , 2009, Journal of the American Chemical Society.
[2] T. Ishii,et al. Covalent modification of proteins by green tea polyphenol (-)-epigallocatechin-3-gallate through autoxidation. , 2008, Free radical biology & medicine.
[3] J. Baell,et al. A new class of blockers of the voltage-gated potassium channel Kv1.3 via modification of the 4- or 7-position of khellinone. , 2006, Journal of medicinal chemistry.
[4] John P. Overington,et al. The promise and peril of chemical probes. , 2015, Nature chemical biology.
[5] J Willem M Nissink,et al. Promiscuous 2-aminothiazoles (PrATs): a frequent hitting scaffold. , 2015, Journal of medicinal chemistry.
[6] Hualiang Jiang,et al. Structures and mechanism for the design of highly potent glucocorticoids , 2014, Cell Research.
[7] R. Norton,et al. Development of Highly Selective Kv1.3-Blocking Peptides Based on the Sea Anemone Peptide ShK , 2015, Marine drugs.
[8] A. Szallasi,et al. Medicinal chemistry of the vanilloid (Capsaicin) TRPV1 receptor: current knowledge and future perspectives , 2007 .
[9] S. Sadeghi,et al. Spectrophotometric determination of rifampicin through chelate formation and charge transfer complexation in pharmaceutical preparation and biological fluids. , 2006, Chemical & pharmaceutical bulletin.
[10] Stephen V Frye,et al. The art of the chemical probe. , 2010, Nature chemical biology.
[11] M. Lichtman. A historical perspective on the development of the cytarabine (7days) and daunorubicin (3days) treatment regimen for acute myelogenous leukemia: 2013 the 40th anniversary of 7+3. , 2013, Blood cells, molecules & diseases.
[12] D. Mereles,et al. Epigallocatechin-3-gallate (EGCG) for Clinical Trials: More Pitfalls than Promises? , 2011, International journal of molecular sciences.
[13] J. Subramony. Apomorphine in dopaminergic therapy. , 2006, Molecular pharmaceutics.
[14] B. Blagg,et al. Geldanamycin, radicicol, and chimeric inhibitors of the Hsp90 N-terminal ATP binding site. , 2006, Current topics in medicinal chemistry.
[15] Pierre Tufféry,et al. The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections , 2011, Bioinform..
[16] H. Reichenbach,et al. Epothilone A and B—Novel 16-Membered Macrolides with Cytotoxic Activity: Isolation, Crystal Structure, and Conformation in Solution† , 1996 .
[17] J. Verweij,et al. Mitomycin C. , 1990, Cancer chemotherapy and biological response modifiers.
[18] Christian Scheurer,et al. Synthetic ozonide drug candidate OZ439 offers new hope for a single-dose cure of uncomplicated malaria , 2011, Proceedings of the National Academy of Sciences.
[19] B. Aggarwal,et al. Therapeutic Roles of Curcumin: Lessons Learned from Clinical Trials , 2012, The AAPS Journal.
[20] I. McLay,et al. X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domain. , 2008, Journal of medicinal chemistry.
[21] Jonathan B. Baell,et al. Broad Coverage of Commercially Available Lead-like Screening Space with Fewer than 350, 000 Compounds , 2013, J. Chem. Inf. Model..
[22] Y. Surh,et al. Capsaicin induces heme oxygenase-1 expression in HepG2 cells via activation of PI3K-Nrf2 signaling: NAD(P)H:quinone oxidoreductase as a potential target. , 2007, Antioxidants & redox signaling.
[23] B. Ligon,et al. Penicillin: its discovery and early development. , 2004, Seminars in pediatric infectious diseases.
[24] G M Cohen,et al. Different forms of cell death induced by putative BCL2 inhibitors , 2009, Cell Death and Differentiation.
[25] Hannu Raunio,et al. Prodrugs—from Serendipity to Rational Design , 2011, Pharmacological Reviews.
[26] E. Fox. Mechanism of action of mitoxantrone , 2004, Neurology.
[27] R. Schneider-Stock,et al. Thymoquinone: fifty years of success in the battle against cancer models. , 2014, Drug discovery today.
[28] Rajarshi Guha,et al. KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries , 2011, Molecular informatics.
[29] Tina Hernandez-Boussard,et al. Doxorubicin pathways: pharmacodynamics and adverse effects , 2011, Pharmacogenetics and genomics.
[30] Olivier Sperandio,et al. FAF-Drugs3: a web server for compound property calculation and chemical library design , 2015, Nucleic Acids Res..
[31] S. Jain,et al. Cyclin-dependent kinase inhibition by flavoalkaloids. , 2012, Mini reviews in medicinal chemistry.
[32] R. Naik,et al. An antiinflammatory cum immunomodulatory piperidinylbenzopyranone from dysoxylum binectariferum : isolation, structure and total synthesis , 1988 .
[33] M. Wani,et al. Discovery to Clinic a , 1996 .
[34] Stefano Forli. Epothilones: From discovery to clinical trials. , 2014, Current topics in medicinal chemistry.
[35] S. Srivastava,et al. Reactive intermediates produced from the metabolism of the vanilloid ring of capsaicinoids by p450 enzymes. , 2013, Chemical research in toxicology.
[36] A. Bode,et al. The two faces of capsaicin. , 2011, Cancer research.
[37] G. Rishton,et al. Natural products as a robust source of new drugs and drug leads: past successes and present day issues. , 2008, The American journal of cardiology.
[38] N. Russo,et al. Ab initio calculations on the (1)O2 quenching mechanism by trans-resveratrol. , 2014, Physical chemistry chemical physics : PCCP.
[39] Céline Douat-Casassus,et al. Plant polyphenols: chemical properties, biological activities, and synthesis. , 2011, Angewandte Chemie.
[40] P. Sensi. History of the development of rifampin. , 1983, Reviews of infectious diseases.
[41] M. Cooper,et al. Natural product and natural product derived drugs in clinical trials. , 2014, Natural product reports.
[42] Jayme L. Dahlin,et al. PAINS in the Assay: Chemical Mechanisms of Assay Interference and Promiscuous Enzymatic Inhibition Observed during a Sulfhydryl-Scavenging HTS , 2015, Journal of medicinal chemistry.
[43] John E. Scott,et al. Discovery of Cercosporamide, a Known Antifungal Natural Product, as a Selective Pkc1 Kinase Inhibitor through High-Throughput Screening , 2004, Eukaryotic Cell.
[44] Recent progress in the development of sortase A inhibitors as novel anti-bacterial virulence agents , 2015 .
[45] Wolfgang Guba,et al. Development of a virtual screening method for identification of "frequent hitters" in compound libraries. , 2002, Journal of medicinal chemistry.
[46] G. Rishton. Reactive compounds and in vitro false positives in HTS , 1997 .
[47] E. Coutinho,et al. Gossypol: a contraceptive for men. , 2002, Contraception.
[48] M. A. Tejada,et al. Tetrodotoxin (TTX) as a Therapeutic Agent for Pain , 2012, Marine drugs.
[49] E. Toone,et al. Identification of chemical inhibitors to human tissue transglutaminase by screening existing drug libraries. , 2008, Chemistry & biology.
[50] A. Holmgren,et al. A new mechanism of action for the anticancer drug mitomycin C: mechanism-based inhibition of thioredoxin reductase. , 2012, Chemical research in toxicology.
[51] J. Baell,et al. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. , 2010, Journal of medicinal chemistry.
[52] U. Hellmann-Blumberg,et al. Production of hydrogen peroxide and redox cycling can explain how sanguinarine and chelerythrine induce rapid apoptosis. , 2008, Archives of biochemistry and biophysics.
[53] P. Kovacic. Mechanism of drug and toxic actions of gossypol: focus on reactive oxygen species and electron transfer. , 2003, Current medicinal chemistry.
[54] J. Baell,et al. Khellinone derivatives as blockers of the voltage-gated potassium channel Kv1.3: synthesis and immunosuppressive activity. , 2004, Journal of medicinal chemistry.
[55] Robert Mah,et al. Drug discovery considerations in the development of covalent inhibitors. , 2014, Bioorganic & medicinal chemistry letters.
[56] S. Sieber,et al. Electrophilic natural products and their biological targets. , 2012, Natural product reports.
[57] Mark E Bunnage,et al. Know your target, know your molecule. , 2015, Nature chemical biology.
[58] David Julius,et al. Molecular Basis for Species-Specific Sensitivity to “Hot” Chili Peppers , 2002, Cell.
[59] T. Shibamoto,et al. The role of flavor and fragrance chemicals in TRPA1 (transient receptor potential cation channel, member A1) activity associated with allergies , 2015, Allergy, Asthma & Clinical Immunology.
[60] H. Reichenbach,et al. Discovery and Development of the Epothilones , 2008, Drugs in R&D.
[61] P. van Bladeren,et al. Identification of o‐quinone/quinone methide metabolites of quercetin in a cellular in vitro system , 2002, FEBS letters.
[62] Jean M. Severin,et al. Toxicological evaluation of thiol-reactive compounds identified using a la assay to detect reactive molecules by nuclear magnetic resonance. , 2007, Chemical research in toxicology.
[63] C. Faurant,et al. From bark to weed: The history of artemisinin , 2011, Parasite.
[64] P. B. Luis,et al. Degradation of Curcumin: From Mechanism to Biological Implications. , 2015, Journal of agricultural and food chemistry.
[65] George Nikolakopoulos,et al. PAINS: Relevance to Tool Compound Discovery and Fragment-Based Screening , 2013 .
[66] James Inglese,et al. Mitigating risk in academic preclinical drug discovery , 2015, Nature Reviews Drug Discovery.
[67] C. Rudin,et al. A Phase II Study of AT-101 (Gossypol) in Chemotherapy-Sensitive Recurrent Extensive-Stage Small Cell Lung Cancer , 2011, Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer.
[68] G. Rishton,et al. Molecular diversity in the context of leadlikeness: compound properties that enable effective biochemical screening. , 2008, Current opinion in chemical biology.
[69] S. Kaufmann,et al. How does doxorubicin work? , 2012, eLife.
[70] Jonathan B. Baell,et al. Redox-active nuisance screening compounds and their classification , 2011 .
[71] Stuart Gillies,et al. Menadione-induced Reactive Oxygen Species Generation via Redox Cycling Promotes Apoptosis of Murine Pancreatic Acinar Cells* , 2006, Journal of Biological Chemistry.
[72] A. Narayanan,et al. Chemical motifs that redox cycle and their associated toxicity , 2013 .
[73] T. Preston,et al. Safety and toxicological evaluation of a synthetic vitamin K2, menaquinone-7 , 2011, Toxicology mechanisms and methods.
[74] J. Ulrichová,et al. Fluorescence of sanguinarine: fundamental characteristics and analysis of interconversion between various forms , 2009, Analytical and bioanalytical chemistry.
[75] Helgi I. Ingólfsson,et al. Phytochemicals Perturb Membranes and Promiscuously Alter Protein Function , 2014, ACS chemical biology.
[76] J. Bolton. Quinone Methide Bioactivation Pathway: Contribution to Toxicity and/or Cytoprotection? , 2014, Current organic chemistry.
[77] Martin Pouliot,et al. Pan Assay Interference Compounds (PAINS) and Other Promiscuous Compounds in Antifungal Research. , 2016, Journal of medicinal chemistry.
[78] J. Baell. Observations on screening-based research and some concerning trends in the literature. , 2010, Future medicinal chemistry.
[79] G. S. Walker,et al. Chemical and computational methods for the characterization of covalent reactive groups for the prospective design of irreversible inhibitors. , 2014, Journal of medicinal chemistry.
[80] Andreas Hofmann,et al. A practical Java tool for small-molecule compound appraisal , 2015, Journal of Cheminformatics.
[81] D. Selkoe,et al. Dopamine covalently modifies and functionally inactivates parkin , 2005, Nature Medicine.
[82] Jonathan B Baell,et al. Screening-based translation of public research encounters painful problems. , 2015, ACS medicinal chemistry letters.
[83] N. Palepu,et al. Preformulation studies to aid in the development of a ready-to-use injectable solution of the antitumor agent, topotecan , 1996 .
[84] G. Rishton. Nonleadlikeness and leadlikeness in biochemical screening. , 2003, Drug discovery today.
[85] C. Proud,et al. Targeting Mnks for Cancer Therapy , 2012, Oncotarget.
[86] David J Newman,et al. Natural products as sources of new drugs over the 30 years from 1981 to 2010. , 2012, Journal of natural products.
[87] G. Ferland. The Discovery of Vitamin K and Its Clinical Applications , 2012, Annals of Nutrition and Metabolism.
[88] M. Scheulen,et al. Covalent protein binding of reactive adriamycin metabolites in rat liver and rat heart microsomes , 2004, Journal of Cancer Research and Clinical Oncology.
[89] V. Dembitsky. Astonishing diversity of natural surfactants: 6. Biologically active marine and terrestrial alkaloid glycosides , 2005, Lipids.
[90] Bin Liu,et al. Haem-activated promiscuous targeting of artemisinin in Plasmodium falciparum , 2015, Nature Communications.
[91] L. Pearl,et al. In vitro biological characterization of a novel, synthetic diaryl pyrazole resorcinol class of heat shock protein 90 inhibitors. , 2007, Cancer research.
[92] Jonathan Bisson,et al. Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery? , 2015, Journal of medicinal chemistry.
[93] J. Clader. The discovery of ezetimibe: a view from outside the receptor. , 2004, Journal of medicinal chemistry.
[94] Yun-Jin Jung,et al. Curcumin is an inhibitor of p300 histone acetylatransferase. , 2006, Medicinal chemistry (Shariqah (United Arab Emirates)).
[95] C. Scott,et al. The BH3 mimetic ABT-737 targets selective Bcl-2 proteins and efficiently induces apoptosis via Bak/Bax if Mcl-1 is neutralized. , 2006, Cancer cell.
[96] J. Baell,et al. Chemistry: Chemical con artists foil drug discovery , 2014, Nature.
[97] C. Crews,et al. From epoxomicin to carfilzomib: chemistry, biology, and medical outcomes. , 2013, Natural product reports.