Search Results - "DOLGHIH, Elena"
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A structure-based model for predicting serum albumin binding
Published in PloS one (01-04-2014)“…One of the many factors involved in determining the distribution and metabolism of a compound is the strength of its binding to human serum albumin. While…”
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2
Predicting binding to p-glycoprotein by flexible receptor docking
Published in PLoS computational biology (01-06-2011)“…P-glycoprotein (P-gp) is an ATP-dependent transport protein that is selectively expressed at entry points of xenobiotics where, acting as an efflux pump, it…”
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3
Evolutionarily Conserved Roles for Blood-Brain Barrier Xenobiotic Transporters in Endogenous Steroid Partitioning and Behavior
Published in Cell reports (Cambridge) (31-10-2017)“…Central nervous system (CNS) chemical protection depends upon discrete control of small-molecule access by the blood-brain barrier (BBB). Curiously, some drugs…”
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4
Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoes
Published in Insect biochemistry and molecular biology (01-01-2009)“…A juvenile hormone acid methyltransferase (JHAMT) was isolated as an abundant EST in a library of the corpora allata of the adult female mosquito Aedes…”
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5
Enzymatic Assimilation of Cyanide via Pterin-Dependent Oxygenolytic Cleavage to Ammonia and Formate in Pseudomonas fluorescens NCIMB 11764
Published in Applied and Environmental Microbiology (01-01-2004)“…Classifications Services AEM Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
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Predicting Efflux Ratios and Blood-Brain Barrier Penetration from Chemical Structure: Combining Passive Permeability with Active Efflux by P‑Glycoprotein
Published in ACS chemical neuroscience (20-02-2013)“…In order to reach their pharmacologic targets, successful central nervous system (CNS) drug candidates have to cross a complex protective barrier separating…”
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7
Fluorescence resonance energy transfer in dye-labeled DNA
Published in Journal of photochemistry and photobiology. A, Chemistry. (15-08-2007)“…We present the results of molecular modeling of dye-labeled, double-stranded DNA. The structural information obtained from the simulations are used as input to…”
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Biaryl amides and hydrazones as therapeutics for prion disease in transgenic mice
Published in The Journal of pharmacology and experimental therapeutics (01-11-2013)“…The only small-molecule compound demonstrated to substantially extend survival in prion-infected mice is a biaryl hydrazone termed "Compd B"…”
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Predicting Binding to P-Glycoprotein by Flexible Receptor Docking: e1002083
Published in PLoS computational biology (01-06-2011)“…P-glycoprotein (P-gp) is an ATP-dependent transport protein that is selectively expressed at entry points of xenobiotics where, acting as an efflux pump, it…”
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10
Theoretical Studies of Short Polyproline Systems: Recalibration of a Molecular Ruler
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23-04-2009)“…FRET experiments enable studies of the chemical and physical properties of individual molecules, which has long been a dream of chemists. However, these modern…”
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2-Aminothiazoles with Improved Pharmacotherapeutic Properties for Treatment of Prion Disease
Published in ChemMedChem (01-05-2013)“…Recently, we described the aminothiazole lead (4‐biphenyl‐4‐ylthiazol‐2‐yl)‐(6‐methylpyridin‐2‐yl)‐amine (1), which exhibits many desirable properties,…”
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12
Bacterial cyanide assimilation: Pterin cofactor and enzymatic requirements for substrate oxidation
Published 01-01-2004“…Utilization of cyanide as the sole nitrogen source by Pseudomonas fluorescens NCIMB 11764 (Pf11764) occurs via oxidative conversion to carbon dioxide and…”
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Dissertation