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Experimental Determination of ADMET Parameters in High Throughput, Using Colloidal Gold Composites and a Conductive Polymer as Reporting Reagents
Roberto Martinez-Neira, Patricia De Pril, Anne Van Hoonacker, Patrick Englebienne

We developed and validated a high throughput in vitro setting to experimentally determine hSA and Orosomucoid affinities, fraction absorbed, Log BBB and Redox potential of NCEs using gold nanoparticles functionalized with proteins, lipids or conductive polymers. Such automated ADME assays provide means for more objective decisions in early drug discovery.

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Production of prostanoids in the plant Arabidopsis thaliana
Maged E. Mohamed and Colin M. Lazarus.

Prostanoids originate from PGHS action on the 20-carbon polyunsaturated fatty acid: DGLA, AA and EPA. We used cDNA expression in Saccharomyces cerevisiae and enzyme immunoassays to compare the activities of two mouse PGHS isoforms and cDNAs encoding mouse prostaglandin I synthase and thromboxane A synthase and genomic DNA encoding Trypanosoma brucei prostaglandin F synthase. All genes were active and were put in Transgenic Arabidopsis thaliana plants producing DGLA.

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Analysis of in silico stereoelectronic properties of PMD (p-menthane-3-8-diols) and its derivatives to develop a pharmacophore for insect repellent activity
Bhattacharjee AK, Chauhan K, Bathini N, Greico J, Achee N, Lawrence K, Benante JP and Gupta RK

PMD, an insect repellent that can be derived from steam distillate residue of leaves of lemon eucalyptus. No QSAR studies are known in literature. We performed ab initio (RHF/6-31G**) study of PMD derivatives. A 3D pharmacophore for repellent activity was also developed. Results indicate lipophilicity, MEP separation and localized negative MEP by oxygen atom have roles for repellency. The pharmacophore is consistent and allowed design of more effective insect repellents.

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DOCKING STUDIES OF A NEW HETEROCYCLIC METHYLTHIOMORPHOLIN PHENOLS DERIVATIVES AS ANTIHYPERTENSIVE DRUGS WITH ACE TARGET.CASE FESCDIPINE II
1V. Vázquez,1O. Vázquez, 1,2M.A.Balboa, 1A. Ma. Velázquez, 1V.H. Abrego, 1B.Camacho, 1L. Martínez, 1L.A. Torres, 1A. Ramírez, 1I.Martínez, 3R.López-Castañares, 1S.Díaz-Barriga, 4J. Bocanegra, 4Froylan Gómez-Laguna, 1F. Olvera, 1E.Angeles.

As part of the Drug Design in Medicinal Chemistry Program of the UNAM, new methylthiomorpholinphenol compounds with cardiovascular effect, were studied. One of them, FESCDIPINE II, was an excellent antihypertensive drug, that has low toxicity and preliminary studies indicate that the Angiotensin-converting enzyme (ACE) system is the biological target of this compound.

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A Novel Design of Artificial Membrane for Improving the PAMPA Model
Xiaoxi (Kevin) Chen, Ph.D., Anthony Murawski, Linda Hladik, and Charles L. Crespi, Ph.D.

The Parallel Artificial Membrane Permeability Assay (PAMPA) is a well-accepted screening assay for ADME properties (membrane permeability).

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Validation of Time-Dependent Cytochrome P450 Inhibition assays: Use of Stable - Labeled Isotope Internal Standards for Optimal Quantitation
Elke S. Perloff, Andrew Mason, Shangara S. Dehal, Andrew P. Blanchard, Ling Morgan, Andre Dandeneau, Thuy Ho, Ronell M. Crocker, Catherine M. Chandler, Nathalie Boily, Charles L. Crespi, and David M. Stresser

Time-dependent inhibition of cytochrome P450 (CYP) metabolism can lead to nonlinear pharmacokinetics and drug-drug interactions. Recent guidance from the USFDA and drug failures attributable to toxicity that may have a basis in time-dependent inhibition, have elevated interest in this long-known undesirable property of drug candidates.

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Applications of Inside-Out Vesicle Uptake Assay to Assess the Inhibitory Effects of Various Drugs on Human MRP2 and Rat Mrp2 Transporters
Vina Ketty, Eric Sands, Joanne Bourgea, Chris J. Patten, Charles L. Crespi, Ph.D., and Guangqing Xiao

Human MRP2 and rat Mrp2 inside-out vesicles were prepared from Spodoptera frugiperda (Sf9) insect cells expressing the corresponding transporters. MRP2 mediated and ATP dependent uptake of 3H-LTC4 was conducted using the rapid filtration system in the absence or presence of MgATP.

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Development of a High-Throughput Microarray for Evaluating CYP1A1 Induction
Megan Mason, XinXin Ding, Jonathan S. Dordick

The aim of this study is to produce a vector capable of expressing green fluorescent protein (GFP) when exposed to a CYP1A1 inducer.

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A Walk-Up ADME Testing System for Medicinal Chemists and Pharmacologists
Muhammad Alimuddina, Martin Peacock, Russell Dahl, Omar Jina, and Paul Oakley

VivADME was born with the fusion of a problem and a solution: recognition by a Medicinal Chemist that ADME data took too long to obtain, and, the realization that microfluidic tools could address the problem. The vivADME microfluidics solution means that ADME profiling can be performed in minutes with microgram-scale samples in a walk-up system with a very low cost per sample.

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Showing Results 71 - 80 of 124
Scientific News
Cellular Contamination Pathway for Heavy Elements Identified
Berkeley Lab scientists find that an iron-binding protein can transport actinides into cells.
Novel Technique for Kidney Research Developed
To better understand how the treatment leads to kidney damage, and possibly prevent it, a team of researchers at Yale School of Medicine developed a new 3D-imaging technique to peer deep into these vital organs.
Microscopic Fish are 3D-Printed to do More Than Swim
Researchers demonstrate a novel method to build microscopic robots with complex shapes and functionalities.
Promising Class of New Cancer Drugs Cause Memory Loss in Mice
New findings from The Rockefeller University suggest that the original version of BET inhibitors causes molecular changes in mouse neurons, and can lead to memory loss in mice that receive it.
A Better Way to Personalize Bladder Cancer Treatments
Researchers at UC Davis, in collaboration with colleagues at Jackson Laboratory, have developed a new way to personalize treatments for aggressive bladder cancer.
Breath of Fresh Air for Asthmatics
Researchers hope to develop a platform that will allow a range of drugs to be delivered by inhalation.
Capturing Cell Growth in 3-D
Spinout’s microfluidics device better models how cancer and other cells interact in the body.
Elastic Patch Releases Drugs in a Stretch
Researchers from have developed a drug delivery technology that consists of an elastic patch that can be applied to the skin and will release drugs whenever the patch is stretched.
New Extra ‘Sticky’ Microgel Could Revolutionise Bladder Cancer Treatment
Researchers have designed a new super-efficient way of delivering an anti-cancer drug which could extend and improve the quality of life for bladder cancer patients - and perhaps save lives.
Liposomes: A Basis for Drugs of the Future
An international group of scientists have recently presented a review of liposomes, microscopic capsules widely used all over the world in the development of new drugs.
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