Ketoprofen

Papers

Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. Loretta Aureli et al J. Med. Chem. 48, 2469-79, (2005)

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Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). Giulia Caron et al J. Med. Chem. 48, 3269-79, (2005)

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2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors. Marcello Allegretti et al J. Med. Chem. 48, 4312-31, (2005)

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Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents. Stanislav Gobec et al Bioorg. Med. Chem. Lett. 15, 5170-5, (2005)

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UDP-glucuronosyltransferases and clinical drug-drug interactions. Tony K L Kiang et al Pharmacol. Ther. 106, 97-132, (2005)

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Evaluation of hydroxyimine as cytochrome P450-selective prodrug structure. Hanna Kumpulainen et al J. Med. Chem. 49, 1207-11, (2006)

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Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. Marieke Voets et al J. Med. Chem. 49, 2222-31, (2006)

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Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability. Giorgio Ottaviani et al J. Med. Chem. 49, 3948-54, (2006)

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In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. Giorgio Ottaviani et al J. Med. Chem. 50, 742-8, (2007)

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QSAR study on permeability of hydrophobic compounds with artificial membranes. Masaaki Fujikawa et al Bioorg. Med. Chem. 15, 3756-67, (2007)

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Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds. Bram Baert et al Bioorg. Med. Chem. 15, 6943-55, (2007)

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Chemical genetics reveals a complex functional ground state of neural stem cells Diamandis, P., et. al. Nat. Chem. Biol. 3(5), 268-273, (2007)

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Molecular characteristics for solid-state limited solubility. Carola M Wassvik et al J. Med. Chem. 51, 3035-9, (2008)

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Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2). Jenny M Pedersen et al J. Med. Chem. 51, 3275-87, (2008)

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Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1. Gustav Ahlin et al J. Med. Chem. 51, 5932-42, (2008)

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Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). Emmanuel Bey et al J. Med. Chem. 51, 6725-39, (2008)

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New analgesics synthetically derived from the paracetamol metabolite N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide. Christian Sinning et al J. Med. Chem. 51, 7800-5, (2008)

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New NSAIDs-NO hybrid molecules with antiproliferative properties on human prostatic cancer cell lines. Nicolas Bézière et al Bioorg. Med. Chem. Lett. 18, 4655-7, (2008)

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Towards the first inhibitors of trihydroxynaphthalene reductase from Curvularia lunata: synthesis of artificial substrate, homology modelling and initial screening. Mojca Brunskole et al Bioorg. Med. Chem. 16, 5881-9, (2008)

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Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. R Scott Obach et al Drug Metab. Dispos. 36, 1385-405, (2008)

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Physicochemical determinants of human renal clearance. Manthena V S Varma et al J. Med. Chem. 52, 4844-52, (2009)

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Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Lei Du-Cuny et al Bioorg. Med. Chem. 17, 6983-92, (2009)

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Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins. Alfonso Pérez-Garrido et al Bioorg. Med. Chem. 17, 896-904, (2009)

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First-principle, structure-based prediction of hepatic metabolic clearance values in human. Haiyan Li et al Eur. J. Med. Chem. 44, 1600-6, (2009)

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Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Elena Dreassi et al Eur. J. Med. Chem. 44, 3712-7, (2009)

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Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data. Xiaofan Sui et al Eur. J. Med. Chem. 44, 4455-60, (2009)

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Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination. Manthena V S Varma et al J. Med. Chem. 53, 1098-108, (2010)

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How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? Alex Avdeef et al J. Med. Chem. 53, 3566-84, (2010)

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Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay. Pil H Lee et al Bioorg. Med. Chem. Lett. 20, 69-73, (2010)

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Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species. Francisco J Prado-Prado et al Bioorg. Med. Chem. 18, 2225-31, (2010)

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QSAR-based solubility model for drug-like compounds. Rafael Gozalbes et al Bioorg. Med. Chem. 18, 7078-84, (2010)

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A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions. David Buttar et al Bioorg. Med. Chem. 18, 7486-96, (2010)

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Developing structure-activity relationships for the prediction of hepatotoxicity. Nigel Greene et al Chem. Res. Toxicol. 23, 1215-22, (2010)

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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Denis Fourches et al Chem. Res. Toxicol. 23, 171-83, (2010)

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Synthesis and biological screening of some novel amidocarbamate derivatives of ketoprofen. Prasanta Kumar Sahoo et al Eur. J. Med. Chem. 45, 3162-8, (2010)

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Neural computational prediction of oral drug absorption based on CODES 2D descriptors. A Guerra et al Eur. J. Med. Chem. 45, 930-40, (2010)

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A predictive ligand-based Bayesian model for human drug-induced liver injury. Sean Ekins et al Drug Metab. Dispos. 38, 2302-8, (2010)

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Identification of a potent and selective free fatty acid receptor 1 (FFA1/GPR40) agonist with favorable physicochemical and in vitro ADME properties. Elisabeth Christiansen et al J. Med. Chem. 54, 6691-703, (2011)

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Structural investigation into the inhibitory mechanisms of indomethacin and its analogues towards human glyoxalase I. Ming Liu et al Bioorg. Med. Chem. Lett. 21, 4243-7, (2011)

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Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies. Minggui Yuan et al Bioorg. Med. Chem. 19, 1189-96, (2011)

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QSAR-based permeability model for drug-like compounds. Rafael Gozalbes et al Bioorg. Med. Chem. 19, 2615-24, (2011)

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Prediction of drug intestinal absorption by new linear and non-linear QSPR. Alan Talevi et al Eur. J. Med. Chem. 46, 218-28, (2011)

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Translating Clinical Findings into Knowledge in Drug Safety Evaluation - Drug Induced Liver Injury Prediction System (DILIps). Zhichao Liu et al PLoS Comput. Biol. 7, e1002310, (2011)

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Cyclooxygenase-1 and cyclooxygenase-2 selectivity of widely used nonsteroidal anti-inflammatory drugs. Cryer, B., and Feldman, M. Am. J. Med. 104, 413, (1998)

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Merck 14,5305