Profiling drug-like properties in discovery research.
暂无分享,去创建一个
Li Di | Edward H Kerns | L. Di | E. Kerns
[1] H. van de Waterbeemd,et al. Property-based design: optimization of drug absorption and pharmacokinetics. , 2001, Journal of medicinal chemistry.
[2] Kin-Kai Hwang,et al. A comparative study of artificial membrane permeability assay for high throughput profiling of drug absorption potential. , 2002, European journal of medicinal chemistry.
[3] E. Kerns,et al. High throughput physicochemical profiling for drug discovery. , 2001, Journal of pharmaceutical sciences.
[4] B. Faller,et al. High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. , 2001, Journal of medicinal chemistry.
[5] Csaba Nemes,et al. Application of parallel liquid chromatography/mass spectrometry for high throughput microsomal stability screening of compound libraries , 2002, Journal of the American Society for Mass Spectrometry.
[6] B. Jones,et al. Structure-activity relationships of 1-alkyl-5-(3,4-dichlorophenyl)- 5-[2-[(3-substituted)-1-azetidinyl]ethyl]-2-piperidones. 1. Selective antagonists of the neurokinin-2 receptor. , 2002, Journal of medicinal chemistry.
[7] D. Lewis,et al. On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism. , 2000, Biochemical pharmacology.
[8] C. Bevan,et al. A high-throughput screening method for the determination of aqueous drug solubility using laser nephelometry in microtiter plates. , 2000, Analytical chemistry.
[9] Li Di,et al. High throughput artificial membrane permeability assay for blood-brain barrier. , 2003, European journal of medicinal chemistry.
[10] John Comer,et al. High-throughput measurement of pKa values in a mixed-buffer linear pH gradient system. , 2003, Analytical chemistry.
[11] R J Riley,et al. Fully automated analysis of activities catalysed by the major human liver cytochrome P450 (CYP) enzymes: assessment of human CYP inhibition potential. , 1999, Xenobiotica; the fate of foreign compounds in biological systems.
[12] Sean Ekins,et al. Optimizing Higher Throughput Methods to Assess Drug-Drug Interactions for CYP1A2, CYP2C9, CYP2C19, CYP2D6, rCYP2D6, and CYP3A4 In Vitro Using a Single Point IC50 , 2002, Journal of biomolecular screening.
[13] C. Lipinski. Drug-like properties and the causes of poor solubility and poor permeability. , 2000, Journal of pharmacological and toxicological methods.
[14] Walter A. Korfmacher,et al. Semi-automated determination of plasma stability of drug discovery compounds using liquid chromatography-tandem mass spectrometry. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[15] G. Caldwell,et al. Metabolism profiling, and cytochrome P450 inhibition & induction in drug discovery. , 2001, Current topics in medicinal chemistry.
[16] SAR of 4-hydroxypiperidine and hydroxyalkyl substituted heterocycles as novel p38 map kinase inhibitors. , 2000, Bioorganic & medicinal chemistry letters.
[17] G. Patonay,et al. High-throughput inhibition screening of major human cytochrome P450 enzymes using an in vitro cocktail and liquid chromatography-tandem mass spectrometry. , 2003, Journal of pharmaceutical and biomedical analysis.
[18] Erik Evensen,et al. A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein. , 2002, Journal of medicinal chemistry.
[19] A. Nomeir,et al. Inhibition of CYP3A4 in a rapid microtiter plate assay using recombinant enzyme and in human liver microsomes using conventional substrates. , 2001, Drug metabolism and disposition: the biological fate of chemicals.
[20] S. Gamage,et al. Structure−Activity Relationships of 1,2,4-Benzotriazine 1,4-Dioxides as Hypoxia-Selective Analogues of Tirapazamine , 2003 .
[21] Li Di,et al. Multivariate pharmaceutical profiling for drug discovery. , 2002, Current topics in medicinal chemistry.
[22] K. Luthman,et al. Caco-2 monolayers in experimental and theoretical predictions of drug transport , 1996 .
[23] E. Duchoslav,et al. A high-capacity LC/MS system for the bioanalysis of samples generated from plate-based metabolic screening. , 2001, Analytical chemistry.
[24] Han van de Waterbeemd,et al. Lipophilicity in PK design: methyl, ethyl, futile , 2001, J. Comput. Aided Mol. Des..
[25] B. Shoichet,et al. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. , 2002, Journal of medicinal chemistry.
[26] B. Zaslavsky,et al. Relative hydrophobicity and lipophilicity of beta-blockers and related compounds as measured by aqueous two-phase partitioning, octanol-buffer partitioning, and HPLC. , 2002, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.
[27] L. Benet,et al. The drug efflux-metabolism alliance: biochemical aspects. , 2001, Advanced drug delivery reviews.
[28] B. Walther,et al. Rapid assessment of drug metabolism in the drug discovery process. , 2000, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.
[29] Alex Avdeef,et al. Physicochemical Profiling (Solubility, Permeability and Charge State) , 2001 .
[30] K Gubernator,et al. Physicochemical high throughput screening: parallel artificial membrane permeation assay in the description of passive absorption processes. , 1998, Journal of medicinal chemistry.
[31] C L Crespi,et al. Fluorometric High‐Throughput Screening for Inhibitors of Cytochrome P450 , 2000, Annals of the New York Academy of Sciences.
[32] Soong-Hoon Kim,et al. SAR and pH stability of cyano-substituted epothilones. , 2002, Organic letters.
[33] S. D. Turner,et al. Substrate-dependent modulation of CYP3A4 catalytic activity: analysis of 27 test compounds with four fluorometric substrates. , 2000, Drug metabolism and disposition: the biological fate of chemicals.
[34] Teng-Man Chen,et al. Evaluation of a method for high throughput solubility determination using a multi-wavelength UV plate reader. , 2002, Combinatorial chemistry & high throughput screening.
[35] A. Watt,et al. An Increased Throughput Method for the Determination of Partition Coefficients , 2000, Pharmaceutical Research.
[36] J. Polli,et al. Rational use of in vitro P-glycoprotein assays in drug discovery. , 2001, The Journal of pharmacology and experimental therapeutics.
[37] C. Masimirembwa,et al. In vitro high throughput screening of compounds for favorable metabolic properties in drug discovery. , 2001, Combinatorial chemistry & high throughput screening.
[38] A. Li,et al. Screening for human ADME/Tox drug properties in drug discovery. , 2001, Drug discovery today.
[39] J. Tolan,et al. MDCK (Madin-Darby canine kidney) cells: A tool for membrane permeability screening. , 1999, Journal of pharmaceutical sciences.
[40] A. D. Rodrigues,et al. Screening of drug candidates for their drug--drug interaction potential. , 2001, Current opinion in chemical biology.
[41] K. PooleS,et al. オクタノール-水分配係数(log P ow )を見積もるためのマイクロエマルション界面動電クロマトグラフィーによる迅速な方法 , 2000 .
[42] F. Lombardo,et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings , 1997 .
[43] S. Venkatesh,et al. Role of the development scientist in compound lead selection and optimization. , 2000, Journal of pharmaceutical sciences.
[44] C. Kibbey,et al. Rapid method for estimating the octanol--water partition coefficient (log P ow) by microemulsion electrokinetic chromatography. , 2000, Journal of chromatography. B, Biomedical sciences and applications.
[45] L. Takahashi,et al. Comparison of chromatographic and spectroscopic methods used to rank compounds for aqueous solubility. , 2001, Journal of pharmaceutical sciences.
[46] Y. Ishihama,et al. A rapid method for pKa determination of drugs using pressure-assisted capillary electrophoresis with photodiode array detection in drug discovery. , 2002, Journal of pharmaceutical sciences.
[47] Kristina Luthman,et al. Caco-2 monolayers in experimental and theoretical predictions of drug transport1PII of original article: S0169-409X(96)00415-2. The article was originally published in Advanced Drug Delivery Reviews 22 (1996) 67–84.1 , 2001 .
[48] M. Abraham,et al. Rapid method for the estimation of octanol/water partition coefficient (log P(oct)) from gradient RP-HPLC retention and a hydrogen bond acidity term (zetaalpha(2)(H)). , 2001, Current medicinal chemistry.