Nonclassical Zwitterions as a Design Principle to Reduce Lipophilicity without Impacting Permeability.
Möbitz H, Dittrich B, Rodde S, Strang R.
J Med Chem · research-article; journal article · DOI 10.1021/acs.jmedchem.4c00596 PUBLIKATIONSREGISTRET
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Zhang SM, Paulin CBJ, Shu H, Yagüe-Capilla M, Michel M, Marttila P, Ortis F, Bwanika HC, Dirks C, Venkatram RP, Wiita E, Jemth AS, Almlöf I, Loseva O, Hormann FM, Koolmeister T, Linde E, Lee S, Llona-Minguez S, Haraldsson M, Axelsson H, Strömberg K, Homan EJ, Scobie M, Lundbäck T, Helleday T, Rudd SG.
iScience · research-article; journal article · DOI 10.1016/j.isci.2024.108907A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.
Sutherland JJ, Yonchev D, Fekete A, Urban L.
Nat Commun · research support, non-u.s. gov't; research-article; journal article · DOI 10.1038/s41467-023-40064-9Predicting the Human Hepatic Clearance of Acidic and Zwitterionic Drugs.
Tess DA, Eng H, Kalgutkar AS, Litchfield J, Edmonds DJ, Griffith DA, Varma MVS.
J Med Chem · journal article · DOI 10.1021/acs.jmedchem.0c01033Synthesis and discovery of triazolo-pyridazine-6-yl-substituted piperazines as effective anti-diabetic drugs; evaluated over dipeptidyl peptidase-4 inhibition mechanism and insulinotropic activities.
Bindu B, Vijayalakshmi S, Manikandan A.
Eur J Med Chem · journal article · DOI 10.1016/j.ejmech.2019.111912Synthesis and molecular modeling of novel non-sulfonylureas as hypoglycemic agents and selective ALR2 inhibitors.
Salem MG, Aziz YMA, Elewa M, Elshihawy HA, Said MM.
Bioorg Med Chem · journal article · DOI 10.1016/j.bmc.2019.06.024DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
Chen M, Suzuki A, Thakkar S, Yu K, Hu C, Tong W.
Drug Discov Today · review; journal article · DOI 10.1016/j.drudis.2016.02.015A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.
Toxicol Sci · journal article · DOI 10.1093/toxsci/kft176Which metabolites circulate?
Loi CM, Smith DA, Dalvie D.
Drug Metab Dispos · journal article · DOI 10.1124/dmd.112.050278Utility of drug depletion-time profiles in isolated hepatocytes for accessing hepatic uptake clearance: identifying rate-limiting steps and role of passive processes.
Jigorel E, Houston JB.
Drug Metab Dispos · research support, non-u.s. gov't; journal article · DOI 10.1124/dmd.112.045732Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Karlgren M, Vildhede A, Norinder U, Wisniewski JR, Kimoto E, Lai Y, Haglund U, Artursson P.
J Med Chem · research support, non-u.s. gov't; research-article; journal article · DOI 10.1021/jm300212sSynthesis, in vitro and in silico screening of ethyl 2-(6-substituted benzo[d]thiazol-2-ylamino)-2-oxoacetates as protein-tyrosine phosphatase 1B inhibitors.
Navarrete-Vazquez G, Ramírez-Martínez M, Estrada-Soto S, Estrada-Soto S, Nava-Zuazo C, Paoli P, Camici G, Escalante-García J, Medina-Franco JL, López-Vallejo F, Ortiz-Andrade R.
Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2012.04.025A comprehensive assessment of repaglinide metabolic pathways: impact of choice of in vitro system and relative enzyme contribution to in vitro clearance.
Säll C, Houston JB, Galetin A.
Drug Metab Dispos · journal article · DOI 10.1124/dmd.112.045286Ligand Promiscuity between the Efflux Pumps Human P-Glycoprotein and S. aureus NorA.
Brincat JP, Broccatelli F, Sabatini S, Frosini M, Neri A, Kaatz GW, Cruciani G, Carosati E.
ACS Med Chem Lett · rapid-communication; journal article · DOI 10.1021/ml200293cTranslating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W.
PLoS Comput Biol · research support, u.s. gov't, p.h.s.; research-article; journal article · DOI 10.1371/journal.pcbi.1002310Lipophilicity of acidic compounds: impact of ion pair partitioning on drug design.
Wenlock MC, Barton P, Luker T.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2011.04.133A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields.
Broccatelli F, Carosati E, Neri A, Frosini M, Goracci L, Oprea TI, Cruciani G.
J Med Chem · research support, non-u.s. gov't; research-article; journal article; research support, n.i.h., extramural · DOI 10.1021/jm101421dEffect of the CYP2C8 genotype on the pharmacokinetics and pharmacodynamics of repaglinide.
Tomalik-Scharte D, Fuhr U, Hellmich M, Frank D, Doroshyenko O, Jetter A, Stingl JC.
Drug Metab Dispos · journal article · DOI 10.1124/dmd.110.036921Membrane transporters in drug development.
International Transporter Consortium, Giacomini KM, Huang SM, Tweedie DJ, Benet LZ, Brouwer KL, Chu X, Dahlin A, Evers R, Fischer V, Hillgren KM, Hoffmaster KA, Ishikawa T, Keppler D, Kim RB, Lee CA, Niemi M, Polli JW, Sugiyama Y, Swaan PW, Ware JA, Wright SH, Yee SW, Zamek-Gliszczynski MJ, Zhang L.
Nat Rev Drug Discov · research-article; review; research support, u.s. gov't, non-p.h.s.; journal article; research support, n.i.h., extramural · DOI 10.1038/nrd3028Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
Varma MV, Obach RS, Rotter C, Miller HR, Chang G, Steyn SJ, El-Kattan A, Troutman MD.
J Med Chem · journal article · DOI 10.1021/jm901371vPhysicochemical determinants of human renal clearance.
Varma MV, Feng B, Obach RS, Troutman MD, Chupka J, Miller HR, El-Kattan A.
J Med Chem · journal article · DOI 10.1021/jm900403jDevelopment of the renal glucose reabsorption inhibitors: a new mechanism for the pharmacotherapy of diabetes mellitus type 2.
Washburn WN.
J Med Chem · review; journal article · DOI 10.1021/jm8013019Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1.
Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R, Matsson P, Norinder U, Bergström CA, Artursson P.
J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm8003152Synthesis of hydantoin analogues of (2S,3R,4S)-4-hydroxyisoleucine with insulinotropic properties.
Sergent D, Wang Q, Sasaki NA, Ouazzani J.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2008.06.081Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Obach RS, Lombardo F, Waters NJ.
Drug Metab Dispos · journal article · DOI 10.1124/dmd.108.020479Hologram QSAR model for the prediction of human oral bioavailability.
Moda TL, Montanari CA, Andricopulo AD.
Bioorg Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmc.2007.08.060Synthesis and in vitro evaluation of (S)-2-([11C]methoxy)-4-[3-methyl-1-(2-piperidine-1-yl-phenyl)-butyl-carbamoyl]-benzoic acid ([11C]methoxy-repaglinide): a potential beta-cell imaging agent.
Wängler B, Wängler B, Beck C, Shiue CY, Schneider S, Schwanstecher C, Schwanstecher M, Feilen PJ, Alavi A, Rösch F, Schirrmacher R.
Bioorg Med Chem Lett · comparative study; research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2004.07.059[Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].
Biour M, Ben Salem C, Chazouillères O, Grangé JD, Serfaty L, Poupon R.
Gastroenterol Clin Biol · bibliography; journal article · DOI 10.1016/s0399-8320(04)95062-2Repaglinide and related hypoglycemic benzoic acid derivatives.
Grell W, Hurnaus R, Griss G, Sauter R, Rupprecht E, Mark M, Luger P, Nar H, Wittneben H, Müller P.
J Med Chem · journal article · DOI 10.1021/jm9810349