Search Results - "Matsson, Pär"

Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5 by Rossi Sebastiano, Matteo, Doak, Bradley C, Backlund, Maria, Poongavanam, Vasanthanathan, Over, Björn, Ermondi, Giuseppe, Caron, Giulia, Matsson, Pär, Kihlberg, Jan

“…Conformational flexibility has been proposed to significantly affect drug properties outside rule-of-5 (Ro5) chemical space. Here, we investigated the…”
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Profiling of a Prescription Drug Library for Potential Renal Drug–Drug Interactions Mediated by the Organic Cation Transporter 2 by Kido, Yasuto, Matsson, Pär, Giacomini, Kathleen M

“…Drug–drug interactions (DDIs) are major causes of serious adverse drug reactions. Most DDIs have a pharmacokinetic basis in which one drug reduces the…”
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Molecular Modeling of Drug–Transporter Interactions—An International Transporter Consortium Perspective by Schlessinger, Avner, Welch, Matthew A., Vlijmen, Herman, Korzekwa, Ken, Swaan, Peter W., Matsson, Pär

“…Membrane transporters play diverse roles in the pharmacokinetics and pharmacodynamics of small‐molecule drugs. Understanding the mechanisms of drug‐transporter…”
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Advancing Predictions of Tissue and Intracellular Drug Concentrations Using In Vitro, Imaging and Physiologically Based Pharmacokinetic Modeling Approaches by Guo, Yingying, Chu, Xiaoyan, Parrott, Neil J., Brouwer, Kim L.R., Hsu, Vicky, Nagar, Swati, Matsson, Pär, Sharma, Pradeep, Snoeys, Jan, Sugiyama, Yuichi, Tatosian, Daniel, Unadkat, Jashvant D., Huang, Shiew‐Mei, Galetin, Aleksandra, Hoeben, Eef, Chen, Dapeng, Hartmann, Georgy, Menzel, Karsten

“…This white paper examines recent progress, applications, and challenges in predicting unbound and total tissue and intra/subcellular drug concentrations using…”
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Structural and conformational determinants of macrocycle cell permeability by Over, Björn, Matsson, Pär, Tyrchan, Christian, Artursson, Per, Doak, Bradley C, Foley, Michael A, Hilgendorf, Constanze, Johnston, Stephen E, Lee, Maurice D, Lewis, Richard J, McCarren, Patrick, Muncipinto, Giovanni, Norinder, Ulf, Perry, Matthew W D, Duvall, Jeremy R, Kihlberg, Jan

“…Detailed computational and structural analysis of a large data set of non-peptidic macrocycles revealed particular functional groups, substituents and…”
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Impact of Stereospecific Intramolecular Hydrogen Bonding on Cell Permeability and Physicochemical Properties by Over, Björn, McCarren, Patrick, Artursson, Per, Foley, Michael, Giordanetto, Fabrizio, Grönberg, Gunnar, Hilgendorf, Constanze, Lee, Maurice D, Matsson, Pär, Muncipinto, Giovanni, Pellisson, Mélanie, Perry, Matthew W. D, Svensson, Richard, Duvall, Jeremy R, Kihlberg, Jan

“…Profiling of eight stereoisomeric T. cruzi growth inhibitors revealed vastly different in vitro properties such as solubility, lipophilicity, pK a, and cell…”
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Identification of Novel Specific and General Inhibitors of the Three Major Human ATP-Binding Cassette Transporters P-gp, BCRP and MRP2 Among Registered Drugs by Matsson, Pär, Pedersen, Jenny M, Norinder, Ulf, Bergström, Christel A. S, Artursson, Per

“…Purpose To study the inhibition patterns of the three major human ABC transporters P-gp (ABCB1), BCRP (ABCG2) and MRP2 (ABCC2), using a dataset of 122…”
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Prediction of intracellular exposure bridges the gap between target- and cell-based drug discovery by Mateus, André, Gordon, Laurie J., Wayne, Gareth J., Almqvist, Helena, Axelsson, Hanna, Seashore-Ludlow, Brinton, Treyer, Andrea, Matsson, Pär, Lundbäck, Thomas, West, Andy, Hann, Michael M., Artursson, Per

“…Inadequate target exposure is a major cause of high attrition in drug discovery. Here, we show that a label-free method for quantifying the intracellular…”
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Membrane transporters in drug development and as determinants of precision medicine by Galetin, Aleksandra, Brouwer, Kim L. R., Tweedie, Donald, Yoshida, Kenta, Sjöstedt, Noora, Aleksunes, Lauren, Chu, Xiaoyan, Evers, Raymond, Hafey, Michael J., Lai, Yurong, Matsson, Pär, Riselli, Andrew, Shen, Hong, Sparreboom, Alex, Varma, Manthena V. S., Yang, Jia, Yang, Xinning, Yee, Sook Wah, Zamek-Gliszczynski, Maciej J., Zhang, Lei, Giacomini, Kathleen M.

“…The effect of membrane transporters on drug disposition, efficacy and safety is now well recognized. Since the initial publication from the International…”
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New and Emerging Research on Solute Carrier and ATP Binding Cassette Transporters in Drug Discovery and Development: Outlook From the International Transporter Consortium by Giacomini, Kathleen M., Yee, Sook W., Koleske, Megan L., Zou, Ling, Matsson, Pär, Chen, Eugene C., Kroetz, Deanna L., Miller, Miles A., Gozalpour, Elnaz, Chu, Xiaoyan

“…Enabled by a plethora of new technologies, research in membrane transporters has exploded in the past decade. The goal of this state‐of‐the‐art article is to…”
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Structural Requirements for Drug Inhibition of the Liver Specific Human Organic Cation Transport Protein 1 by Ahlin, Gustav, Karlsson, Johan, Pedersen, Jenny M, Gustavsson, Lena, Larsson, Rolf, Matsson, Pär, Norinder, Ulf, Bergström, Christel A. S, Artursson, Per

“…The liver-specific organic cation transport protein (OCT1; SLC22A1) transports several cationic drugs including the antidiabetic drug metformin and the…”
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Quantifying the impact of transporters on cellular drug permeability by Matsson, Pär, Fenu, Luca A, Lundquist, Patrik, Wiśniewski, Jacek R, Kansy, Manfred, Artursson, Per

“…Highlights • We examined the hypothesis that cellular drug permeability is mainly carrier mediated. • Drug permeability was simulated in the absence of passive…”
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How Big Is Too Big for Cell Permeability? by Matsson, Pär, Kihlberg, Jan

“…Understanding how to design cell permeable ligands for intracellular targets that have difficult binding sites, such as protein–protein interactions, would…”
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A global drug inhibition pattern for the human ATP-binding cassette transporter breast cancer resistance protein (ABCG2) by Matsson, Pär, Englund, Gunilla, Ahlin, Gustav, Bergström, Christel A S, Norinder, Ulf, Artursson, Per

“…In this article, we explore the entire structural space of registered drugs to obtain a global model for the inhibition of the drug efflux transporter breast…”
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Comparison of human solute carriers by Schlessinger, Avner, Matsson, Pär, Shima, James E., Pieper, Ursula, Yee, Sook Wah, Kelly, Libusha, Apeltsin, Leonard, Stroud, Robert M., Ferrin, Thomas E., Giacomini, Kathleen M., Sali, Andrej

“…Solute carriers are eukaryotic membrane proteins that control the uptake and efflux of solutes, including essential cellular compounds, environmental toxins,…”
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Challenges in Permeability Assessment for Oral Drug Product Development by Koziolek, Mirko, Augustijns, Patrick, Berger, Constantin, Cristofoletti, Rodrigo, Dahlgren, David, Keemink, Janneke, Matsson, Pär, McCartney, Fiona, Metzger, Marco, Mezler, Mario, Niessen, Janis, Polli, James E, Vertzoni, Maria, Weitschies, Werner, Dressman, Jennifer

“…Drug permeation across the intestinal epithelium is a prerequisite for successful oral drug delivery. The increased interest in oral administration of…”
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Rapid Measurement of Intracellular Unbound Drug Concentrations by Mateus, André, Matsson, Pär, Artursson, Per

“…Intracellular unbound drug concentrations determine affinity to targets in the cell interior. However, due to difficulties in measuring them, they are often…”
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Exploring the Role of Different Drug Transport Routes in Permeability Screening by Matsson, Pär, Bergström, Christel A. S, Nagahara, Naoki, Tavelin, Staffan, Norinder, Ulf, Artursson, Per

“…The influence of different drug transport routes in intestinal drug permeability screening assays was studied. Three experimental models were compared:  the…”
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Cell permeability beyond the rule of 5 by Matsson, Pär, Doak, Bradley C., Over, Björn, Kihlberg, Jan

“…Drug discovery for difficult targets that have large and flat binding sites is often better suited to compounds beyond the “rule of 5” (bRo5). However, such…”
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Intracellular drug bioavailability: a new predictor of system dependent drug disposition by Mateus, André, Treyer, Andrea, Wegler, Christine, Karlgren, Maria, Matsson, Pär, Artursson, Per

“…Intracellular drug exposure is influenced by cell- and tissue-dependent expression of drug-transporting proteins and metabolizing enzymes. Here, we introduce…”
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