Comparative chemical genomics reveal that the spiroindolone antimalarial KAE609 (Cipargamin) is a P-type ATPase inhibitor
暂无分享,去创建一个
Rommie E. Amaro | Jacob D. Durrant | Elizabeth A. Winzeler | Sabine Ottilie | Gregory M. Goldgof | Edgar Vigil | Kenneth E. Allen | Carolyn W. Slayman | Yo Suzuki | Micah J. Manary | Case W. McNamara | Felicia Gunawan | E. Winzeler | Yo Suzuki | C. Slayman | M. Nachon | R. Amaro | Jennifer Yang | K. Allen | M. Manary | Jake Schenken | Jennifer Yang | Maxim Kostylev | Kiersten A. Henderson | Gregory M. LaMonte | Ayako Murao | Marie Nachon | Rebecca Stanhope | Maximo Prescott | C. McNamara | Kiersten A Henderson | S. Ottilie | Maxim Kostylev | Felicia Gunawan | Edgar Vigil | A. Murao | Rebecca Stanhope | J. Schenken | Maximo Prescott | Rebecca Murray
[1] Richard A. Friesner,et al. Flexible ligand docking with Glide. , 2007, Current protocols in bioinformatics.
[2] G. Fink,et al. Yeast plasma membrane ATPase is essential for growth and has homology with (Na+ + K+), K+- and Ca2+-ATPases , 1986, Nature.
[3] Rodrigo Lopez,et al. Clustal W and Clustal X version 2.0 , 2007, Bioinform..
[4] L. Burdine,et al. Target identification in chemical genetics: the (often) missing link. , 2004, Chemistry & biology.
[5] S. Brul,et al. In vivo measurement of cytosolic and mitochondrial pH using a pH-sensitive GFP derivative in Saccharomyces cerevisiae reveals a relation between intracellular pH and growth. , 2009, Microbiology.
[6] Gero Miesenböck,et al. Visualizing secretion and synaptic transmission with pH-sensitive green fluorescent proteins , 1998, Nature.
[7] D. Gottschling,et al. Mother-daughter asymmetry of pH underlies aging and rejuvenation in yeast , 2014, eLife.
[8] G. van Gemert,et al. The Spiroindolone Drug Candidate NITD609 Potently Inhibits Gametocytogenesis and Blocks Plasmodium falciparum Transmission to Anopheles Mosquito Vector , 2012, Antimicrobial Agents and Chemotherapy.
[9] Robin Taylor,et al. Organic Fluorine Hardly Ever Accepts Hydrogen Bonds , 1997 .
[10] Baldur P Magnusson,et al. A First-in-Human Randomized, Double-Blind, Placebo-Controlled, Single- and Multiple-Ascending Oral Dose Study of Novel Antimalarial Spiroindolone KAE609 (Cipargamin) To Assess Its Safety, Tolerability, and Pharmacokinetics in Healthy Adult Volunteers , 2014, Antimicrobial Agents and Chemotherapy.
[11] V. Zaremberg,et al. Disruption of lipid domain organization in monolayers of complex yeast lipid extracts induced by the lysophosphatidylcholine analogue edelfosine in vivo. , 2015, Chemistry and physics of lipids.
[12] R. Friesner,et al. Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides† , 2001 .
[13] P. Hergenrother,et al. Transcript profiling and RNA interference as tools to identify small molecule mechanisms and therapeutic potential. , 2011, ACS chemical biology.
[14] W. Kühlbrandt,et al. Structure, Mechanism, and Regulation of the Neurospora Plasma Membrane H ؉ -atpase , 2022 .
[15] Jan H. Jensen,et al. PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions. , 2011, Journal of chemical theory and computation.
[16] K. Kirk,et al. The malaria parasite cation ATPase PfATP4 and its role in the mechanism of action of a new arsenal of antimalarial drugs , 2015, International journal for parasitology. Drugs and drug resistance.
[17] Jeremy R. Greenwood,et al. Epik: a software program for pKa prediction and protonation state generation for drug-like molecules , 2007, J. Comput. Aided Mol. Des..
[18] Sol Katzman,et al. Confirmation of the cellular targets of benomyl and rapamycin using next-generation sequencing of resistant mutants in S. cerevisiae. , 2014, Molecular bioSystems.
[19] A. Gammie,et al. Rapid Identification of Chemoresistance Mechanisms Using Yeast DNA Mismatch Repair Mutants , 2015, G3: Genes, Genomes, Genetics.
[20] W. L. Jorgensen,et al. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids , 1996 .
[21] Trixie Wagner,et al. Spirotetrahydro β-Carbolines (Spiroindolones): A New Class of Potent and Orally Efficacious Compounds for the Treatment of Malaria , 2010, Journal of medicinal chemistry.
[22] Timothy J. Hanly,et al. Bacterial genome reduction using the progressive clustering of deletions via yeast sexual cycling , 2015, Genome research.
[23] P. Nissen,et al. Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex , 2015, Proceedings of the National Academy of Sciences.
[24] Tatiana Popova,et al. Supplementary Methods , 2012, Acta Neuropsychiatrica.
[25] D. Perlin,et al. The Plasma Membrane H+‐ATPase of Fungi , 1997 .
[26] Philip E. Bourne,et al. A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology , 2010, PLoS Comput. Biol..
[27] Jeffery B. Klauda,et al. CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes. , 2009, Biophysical journal.
[28] J. Haber,et al. Pleiotropic plasma membrane ATPase mutations of Saccharomyces cerevisiae , 1987, Molecular and cellular biology.
[29] John A. Tallarico,et al. Selective and Specific Inhibition of the Plasmodium falciparum Lysyl-tRNA Synthetase by the Fungal Secondary Metabolite Cladosporin , 2012, Cell host & microbe.
[30] T. Kardos,et al. Surface-Active Fungicidal d-Peptide Inhibitors of the Plasma Membrane Proton Pump That Block Azole Resistance , 2005, Antimicrobial Agents and Chemotherapy.
[31] David W. Gray,et al. A novel multiple-stage antimalarial agent that inhibits protein synthesis , 2015, Nature.
[32] Andrei L. Lomize,et al. OPM: Orientations of Proteins in Membranes database , 2006, Bioinform..
[33] John R. Walker,et al. Identification of pathogen genomic variants through an integrated pipeline , 2014, BMC Bioinformatics.
[34] D. Perlin,et al. The plasma membrane H(+)-ATPase of fungi. A candidate drug target? , 1997, Annals of the New York Academy of Sciences.
[35] C. McMaster,et al. Cytotoxicity of an Anti-cancer Lysophospholipid through Selective Modification of Lipid Raft Composition* , 2005, Journal of Biological Chemistry.
[36] Yo Suzuki,et al. Cloning Should Be Simple: Escherichia coli DH5α-Mediated Assembly of Multiple DNA Fragments with Short End Homologies , 2015, PloS one.
[37] Hongshen Ma,et al. (+)-SJ733, a clinical candidate for malaria that acts through ATP4 to induce rapid host-mediated clearance of Plasmodium , 2014, Proceedings of the National Academy of Sciences.
[38] F. Blasco,et al. Pharmacokinetic-Pharmacodynamic Analysis of Spiroindolone Analogs and KAE609 in a Murine Malaria Model , 2014, Antimicrobial Agents and Chemotherapy.
[39] C. McMaster,et al. Alteration of Plasma Membrane Organization by an Anticancer Lysophosphatidylcholine Analogue Induces Intracellular Acidification and Internalization of Plasma Membrane Transporters in Yeast* , 2013, The Journal of Biological Chemistry.
[40] A. Mason,et al. Exploring an antifungal target in the plasma membrane H(+)-ATPase of fungi. , 1997, Biochimica et biophysica acta.
[41] F. Portillo,et al. Growth control strength and active site of yeast plasma membrane ATPase studied by site-directed mutagenesis. , 1989, European journal of biochemistry.
[42] Robert W. Sauerwein,et al. Targeting Plasmodium PI(4)K to eliminate malaria , 2013, Nature.
[43] R. Sikorski,et al. A system of shuttle vectors and yeast host strains designed for efficient manipulation of DNA in Saccharomyces cerevisiae. , 1989, Genetics.
[44] Kiaran Kirk,et al. Diverse chemotypes disrupt ion homeostasis in the malaria parasite , 2014, Molecular microbiology.
[45] W. Kühlbrandt. Biology, structure and mechanism of P-type ATPases , 2004, Nature Reviews Molecular Cell Biology.
[46] Sandhya Kortagere,et al. Pyrazoleamide compounds are potent antimalarials that target Na+ homeostasis in intraerythrocytic Plasmodium falciparum , 2014, Nature Communications.
[47] Matthew P. Repasky,et al. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. , 2006, Journal of medicinal chemistry.
[48] Hege S. Beard,et al. Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. , 2004, Journal of medicinal chemistry.
[49] George M. Church,et al. Genome engineering in Saccharomyces cerevisiae using CRISPR-Cas systems , 2013, Nucleic acids research.
[50] B. Honig,et al. A hierarchical approach to all‐atom protein loop prediction , 2004, Proteins.
[51] Thomas H Segall-Shapiro,et al. Creation of a Bacterial Cell Controlled by a Chemically Synthesized Genome , 2010, Science.
[52] J. Revuelta,et al. Drug Uptake, Lipid Rafts, and Vesicle Trafficking Modulate Resistance to an Anticancer Lysophosphatidylcholine Analogue in Yeast* , 2013, The Journal of Biological Chemistry.
[53] Elizabeth A. Winzeler,et al. Mutations in the P-Type Cation-Transporter ATPase 4, PfATP4, Mediate Resistance to Both Aminopyrazole and Spiroindolone Antimalarials , 2014, ACS chemical biology.
[54] Baldur P Magnusson,et al. Spiroindolone KAE609 for falciparum and vivax malaria. , 2014, The New England journal of medicine.
[55] D. G. Gibson,et al. Enzymatic assembly of DNA molecules up to several hundred kilobases , 2009, Nature Methods.
[56] R. Schiestl,et al. High efficiency transformation of intact yeast cells using single stranded nucleic acids as a carrier , 1989, Current Genetics.
[57] F. Supek,et al. Utilizing Chemical Genomics to Identify Cytochrome b as a Novel Drug Target for Chagas Disease , 2015, PLoS pathogens.
[58] M. Cyert,et al. Regulation of Cation Balance in Saccharomyces cerevisiae , 2013, Genetics.
[59] Vincent Hernandez,et al. An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site , 2007, Science.
[60] Elizabeth A. Winzeler,et al. Na+ Regulation in the Malaria Parasite Plasmodiumfalciparum Involves the Cation ATPase PfATP4 and Is a Target of the Spiroindolone Antimalarials , 2013, Cell host & microbe.
[61] Woody Sherman,et al. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments , 2013, Journal of Computer-Aided Molecular Design.
[62] Lan V. Zhang,et al. Knocking out multi-gene redundancies via cycles of sexual assortment and fluorescence selection , 2010, Nature Methods.
[63] Edith D. Wong,et al. Saccharomyces Genome Database: the genomics resource of budding yeast , 2011, Nucleic Acids Res..
[64] Hinrich W. H. Göhlmann,et al. A Diarylquinoline Drug Active on the ATP Synthase of Mycobacterium tuberculosis , 2005, Science.
[65] Cathy H. Wu,et al. The Universal Protein Resource (UniProt) , 2004, Nucleic Acids Res..
[66] Stuart L Schreiber,et al. The Power of Sophisticated Phenotypic Screening and Modern Mechanism-of-Action Methods. , 2016, Cell chemical biology.
[67] Bruce Russell,et al. Spiroindolones, a Potent Compound Class for the Treatment of Malaria , 2010, Science.
[68] Ge-Fei Hao,et al. Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex. , 2012, Journal of the American Chemical Society.
[69] Norbert Perrimon,et al. RNAi screening comes of age: improved techniques and complementary approaches , 2014, Nature Reviews Molecular Cell Biology.
[70] T. H. Wood,et al. Escherichia coli K-12 Mutants Resistant to Nalidixic Acid: Genetic Mapping and Dominance Studies , 1969, Journal of bacteriology.
[71] Acknowledgements , 1992, Experimental Gerontology.