Thomas J Raub
Affiliation: Eli Lilly and Company
- P-glycoprotein recognition of substrates and circumvention through rational drug designThomas J Raub
Drug Disposition, Lilly Research Laboratories, Eli Lilly and Company, Indianapolis, Indiana 46285, USA
Mol Pharm 3:3-25. 2006..This review discusses our understanding of how P-gp recognizes and pumps compounds as substrates and describes cases where structural changes were made in a chemical scaffold to circumvent the effects of P-gp interactions...
- Brain Exposure of Two Selective Dual CDK4 and CDK6 Inhibitors and the Antitumor Activity of CDK4 and CDK6 Inhibition in Combination with Temozolomide in an Intracranial Glioblastoma XenograftThomas J Raub
Drug Disposition, Lilly Research Laboratories T J R, G N W, P K, B A S, R T A, G A S, Division of Cancer Research L M G, H E S, and Discovery Chemistry Research and Technologies A D D, Eli Lilly and Company, Indianapolis, Indiana Discovery Chemistry Research and Technologies, Eli Lilly and Company, Alcobendas, Madrid, Spain C S M and Covance Laboratories, Greenfield, Indiana H E S
Drug Metab Dispos 43:1360-71. 2015....
- Integration of in silico and in vitro tools for scaffold optimization during drug discovery: predicting P-glycoprotein effluxPrashant V Desai
Computational ADME, Lilly Research Laboratories, Eli Lilly and Company, Indianapolis, Indiana 46285, USA
Mol Pharm 10:1249-61. 2013..Key learning based on our experience with P-gp can be widely applicable across other DMPK-related challenges...
- QSAR Model of Unbound Brain-to-Plasma Partition Coefficient, Kp,uu,brain: Incorporating P-glycoprotein Efflux as a VariableElena Dolgikh
Global Scientific Informatics, Advanced Analytics, Computational ADME, IT Informatics and Drug Disposition, Lilly Research Laboratories, Eli Lilly and Company, Indianapolis, Indiana 46285, United States
J Chem Inf Model 56:2225-2233. 2016....
- How hydrogen bonds impact P-glycoprotein transport and permeabilityPrashant V Desai
Computational ADME, Drug Disposition, Lilly Research Laboratories, Eli Lilly and Company, Indianapolis, IN 46285, USA
Bioorg Med Chem Lett 22:6540-8. 2012..Using various examples from literature, we illustrate the benefits of considering the relative strengths of individual H-bonds and introducing intramolecular H-bonds to increase membrane permeability and/or decrease P-gp efflux...
- Chalcogenopyrylium dyes as inhibitors/modulators of P-glycoprotein in multidrug-resistant cellsGeri A Sawada
Drug Disposition, Eli Lilly and Company, Indianapolis, IN 46285, USA
Bioorg Med Chem 16:9745-56. 2008..3 x 10(-6)M) and within inside-out membrane vesicles (IC(50) of 9.6 x 10(-6)M). Yet, Pgp did not influence the distribution of 8-Te in MDCKII-MDR1 monolayers suggesting that 8-Te may bind to an allosteric site...
- Automated analysis of polyethylene glycol-induced inhibition of P-glycoprotein activity in vitroErin D Hugger
Pharmaceutical Chemistry Department, The University of Kansas, Lawrence, Kansas 66047, USA
J Pharm Sci 92:21-6. 2003....
- Design, synthesis, structure-activity relationship, and in vivo activity of azabicyclic aryl amides as alpha7 nicotinic acetylcholine receptor agonistsDaniel P Walker
Neuroscience Research, Pfizer Global Research and Development, Eastern Point Rd, Groton, CT 06340, USA
Bioorg Med Chem 14:8219-48. 2006..At least one analog from each series (1h, 1o, 2a, 9a, and 18a) shows an improved hERG safety profile over PNU-282,987...
- ATP occlusion by P-glycoprotein as a surrogate measure for drug couplingGregory Tombline
Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260 3000, USA
Biochemistry 47:3294-307. 2008..It is noteworthy that when compared to previously reported TMR analogues, subtle modification of the TMR scaffold can confer large differences in ATP turnover...