Search Results - "MCMASTERS, Daniel R"

eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk by Sheridan, Robert P, McMasters, Daniel R, Voigt, Johannes H, Wildey, Mary Jo

“…During drug development, compounds are tested against counterscreens, a panel of off-target activities that would be undesirable for a drug to have. Testing…”
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Extracellular loop C of NPC1L1 is important for binding to ezetimibe by Weinglass, Adam B, Kohler, Martin, Schulte, Uwe, Liu, Jessica, Nketiah, Emmanuel O, Thomas, Anu, Schmalhofer, William, Williams, Brande, Bildl, Wolfgang, McMasters, Daniel R, Dai, Kevin, Beers, Lindsey, McCann, Margaret E, Kaczorowski, Gregory J, Garcia, Maria L

“…Niemann-Pick C1-like protein (NPC1L1) mediates the absorption of dietary cholesterol in the proximal region of the intestine, a process that is blocked by…”
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Structure−Activity Relationship of Heterobase-Modified 2‘-C-Methyl Ribonucleosides as Inhibitors of Hepatitis C Virus RNA Replication by Eldrup, Anne B, Prhavc, Marija, Brooks, Jennifer, Bhat, Balkrishen, Prakash, Thazha P, Song, Quanlai, Bera, Sanjib, Bhat, Neelima, Dande, Prasad, Cook, P. Dan, Bennett, C. Frank, Carroll, Steven S, Ball, Richard G, Bosserman, Michele, Burlein, Christine, Colwell, Lawrence F, Fay, John F, Flores, Osvaldo A, Getty, Krista, LaFemina, Robert L, Leone, Joseph, MacCoss, Malcolm, McMasters, Daniel R, Tomassini, Joanne E, von Langen, Derek, Wolanski, Bohdan, Olsen, David B

“…Hepatitis C virus infection constitutes a significant health problem in need of more effective therapies. We have recently identified 2‘-C-methyladenosine and…”
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Use of Density Functional Calculations To Predict the Regioselectivity of Drugs and Molecules Metabolized by Aldehyde Oxidase by Torres, Rhonda A, Korzekwa, Kenneth R, McMasters, Daniel R, Fandozzi, Christine M, Jones, Jeffrey P

“…Aldehyde oxidase is a molybdenum hydroxylase that catalyzes the oxidation of aldehydes and nitrogen-containing heterocycles. The enzyme plays a dual role in…”
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Structure−Activity Relationship of Purine Ribonucleosides for Inhibition of Hepatitis C Virus RNA-Dependent RNA Polymerase by Eldrup, Anne B, Allerson, Charles R, Bennett, C. Frank, Bera, Sanjib, Bhat, Balkrishen, Bhat, Neelima, Bosserman, Michele R, Brooks, Jennifer, Burlein, Christine, Carroll, Steven S, Cook, P. Dan, Getty, Krista L, MacCoss, Malcolm, McMasters, Daniel R, Olsen, David B, Prakash, Thazha P, Prhavc, Marija, Song, Quanlai, Tomassini, Joanne E, Xia, Jie

“…As part of a continued effort to identify inhibitors of hepatitis C viral (HCV) replication, we report here the synthesis and evaluation of a series of…”
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Impact of pH on Plasma Protein Binding in Equilibrium Dialysis by Kochansky, Christopher J, McMasters, Daniel R, Lu, Ping, Koeplinger, Kenneth A, Kerr, Haley H, Shou, Magang, Korzekwa, Kenneth R

“…Many pharmacokinetic analyses require unbound plasma concentrations, including prediction of clearance, volume of distribution, drug−drug interactions, brain…”
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Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain by Shao, Pengcheng P., Ye, Feng, Weber, Ann E., Li, Xiaohua, Lyons, Kathryn A., Parsons, William H., Garcia, Maria L., Priest, Birgit T., Smith, McHardy M., Felix, John P., Williams, Brande S., Kaczorowski, Gregory J., McGowan, Erin, Abbadie, Catherine, Martin, William J., McMasters, Daniel R., Gao, Ying-Duo

“…A series of novel isoxazole voltage gated sodium channel blockers have been synthesized and evaluated. Substitutions on the benzylic position of benzamide were…”
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Inhibitory Effect of 2′-Substituted Nucleosides on Hepatitis C Virus Replication Correlates with Metabolic Properties in Replicon Cells by TOMASSINI, Joanne E, GETTY, Krista, MCMASTERS, Daniel R, MIGLIACCIO, Giovanni, OLSEN, David B, STAHLHUT, Mark W, SHIM, Sung, BHAT, Balkrishen, ELDRUP, Anne B, PRAKASH, Thazha P, CARROLL, Steven S, FLORES, Osvaldo, MACCOSS, Malcolm

“…Classifications Services AAC Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
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Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation by Bower, Michael J, Aronov, Alex M, Cleveland, Thomas, Hariparsad, Niresh, McGaughey, Georgia B, McMasters, Daniel R, Zhang, Xiaodan, Goldman, Brian

“…Induction of cytochrome P450 isoform 3A4 via activation of the pregnane xenobiotic receptor (PXR) is a concern for pharmaceutical discovery and development, as…”
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Stereoselective Synthesis of a Potent Thrombin Inhibitor by a Novel P2−P3 Lactone Ring Opening by Nelson, Todd D, LeBlond, Carl R, Frantz, Doug E, Matty, Louis, Mitten, Jeffrey V, Weaver, Damian G, Moore, Jeffrey C, Kim, Jaehon M, Boyd, Russell, Kim, Pei-Yi, Gbewonyo, Kodzo, Brower, Mark, Sturr, Michael, McLaughlin, Kathleen, McMasters, Daniel R, Kress, Michael H, McNamara, James M, Dolling, Ulf H

“…The concise synthesis of a potent thrombin inhibitor was accomplished by a mild lactone aminolysis between an orthogonally protected bis-benzylic amine and a…”
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Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus by Xu, Jiayi, Lin, Songnian, Myers, Robert W., Addona, George, Berger, Joel P., Campbell, Brian, Chen, Hsuan-shen, Chen, Zhesheng, Eiermann, George J., Elowe, Nadine H., Farrer, Brian T., Feng, Wen, Fu, Qinghong, Kats-Kagan, Roman, Kavana, Michael, Malkani, Sunita, McMasters, Daniel R., Mitra, Kaushik, Pachanski, Michele J., Tong, Xinchun, Trujillo, Maria E., Xu, Libo, Zhang, Bei, Zhang, Fengqi, Zhang, Rui, Parmee, Emma R.

“…[Display omitted] Glucokinase (GK, hexokinase IV) is a unique hexokinase that plays a central role in mammalian glucose homeostasis. Glucose phosphorylation by…”
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Analysis of acyclic nucleoside modifications in siRNAs finds sensitivity at position 1 that is restored by 5'-terminal phosphorylation both in vitro and in vivo by Kenski, Denise M, Cooper, Abby J, Li, Jenny J, Willingham, Aarron T, Haringsma, Henry J, Young, Tracy A, Kuklin, Nelly A, Jones, Jeffrey J, Cancilla, Mark T, McMasters, Daniel R, Mathur, Melina, Sachs, Alan B, Flanagan, W. Michael

“…Small interfering RNAs (siRNAs) are short, double-stranded RNAs that use the endogenous RNAi pathway to mediate gene silencing. Phosphorylation facilitates…”
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Discovery of orally active hepatoselective glucokinase activators for treatment of Type II Diabetes Mellitus by Xu, Jiayi, Lin, Songnian, Myers, Robert W., Trujillo, Maria E., Pachanski, Michele J., Malkani, Sunita, Chen, Hsuan-shen, Chen, Zhesheng, Campbell, Brian, Eiermann, George J., Elowe, Nadine, Farrer, Brian T., Feng, Wen, Fu, Qinghong, Kats-Kagan, Roman, Kavana, Michael, McMasters, Daniel R., Mitra, Kaushik, Tong, Xinchun, Xu, Libo, Zhang, Fengqi, Zhang, Rui, Addona, George H., Berger, Joel P., Zhang, Bei, Parmee, Emma R.

“…[Display omitted] Systemically acting glucokinase activators (GKA) have been demonstrated in clinical trials to effectively lower blood glucose in patients…”
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Characterization of Resistance to Non-obligate Chain-terminating Ribonucleoside Analogs That Inhibit Hepatitis C Virus Replication in Vitro by Migliaccio, Giovanni, Tomassini, Joanne E., Carroll, Steven S., Tomei, Licia, Altamura, Sergio, Bhat, Balkrishen, Bartholomew, Linda, Bosserman, Michele R., Ceccacci, Alessandra, Colwell, Lawrence F., Cortese, Riccardo, De Francesco, Raffaele, Eldrup, Anne B., Getty, Krista L., Hou, Xiaoli S., LaFemina, Robert L., Ludmerer, Steven W., MacCoss, Malcolm, McMasters, Daniel R., Stahlhut, Mark W., Olsen, David B., Hazuda, Daria J., Flores, Osvaldo A.

“…The urgent need for efficacious drugs to treat chronic hepatitis C virus (HCV) infection requires a concerted effort to develop inhibitors specific for virally…”
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QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets by Sheridan, Robert P, Nam, Kiyean, Maiorov, Vladimir N, McMasters, Daniel R, Cornell, Wendy D

“…We propose a direct QSAR methodology to predict how similar the inhibitor-binding profiles of two protein kinases are likely to be, based on the properties of…”
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Guest editorial for special issue on "ADME and Physical Properties" by McMasters, Daniel R

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Spiroimidazolidinone NPC1L1 inhibitors. Part 2: Structure–activity studies and in vivo efficacy by Howell, Kobporn L., DeVita, Robert J., Garcia-Calvo, Margarita, Meurer, Roger D., Lisnock, JeanMarie, Bull, Herbert G., McMasters, Daniel R., McCann, Margaret E., Mills, Sander G.

“…Ezetimibe (Zetia®), a cholesterol-absorption inhibitor (CAI) approved by the FDA for the treatment of hypercholesterolemia, is believed to target the intestine…”
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Synthesis and HCV inhibitory properties of 9-deaza- and 7,9-dideaza-7-oxa-2′- C-methyladenosine by Butora, Gabor, Olsen, David B., Carroll, Steven S., McMasters, Daniel R., Schmitt, Christoph, Leone, Joseph F., Stahlhut, Mark, Burlein, Christine, MacCoss, Malcolm

“…2′- C-Methyl analogs of 7-oxa- and 7-aza-7,9-dideazadenosines were synthesized and their metabolic stability as well as antiviral (HCV) properties evaluated…”
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Inhibition of Recombinant Cytochrome P450 Isoforms 2D6 and 2C9 by Diverse Drug-like Molecules by McMasters, Daniel R, Torres, Rhonda A, Crathern, Susan J, Dooney, Deborah L, Nachbar, Robert B, Sheridan, Robert P, Korzekwa, Kenneth R

“…The affinities of a diverse set of 500 drug-like molecules to cytochrome P450 isoforms 2C9 and 2D6 were measured using recombinant expressed enzyme. The…”
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Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening by McMasters, Daniel R., Garcia-Calvo, Margarita, Maiorov, Vladimir, McCann, Margaret E., Meurer, Roger D., Bull, Herbert G., Lisnock, JeanMarie, Howell, Kobporn L., DeVita, Robert J.

“…A series of spiroimidazolidinone NPC1L1 inhibitors was discovered by virtual screening of the Merck corporate sample repository using 3D-similarity-based…”
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