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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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Functional Evaluation of SLC Transporters in BD Gentest™ Cryopreserved Human Hepatocytes Using an Oil-Filtration Suspension Assay
1Eric Sands, 1Vina Ketty, 2Yong-Hae-Han, 1Joanne Bourgea, 1Chris J. Patten, 1Charles L. Crespi, and 1Guangqing Xiao

The purpose of this study was to evaluate the function of Sodium Taurocholate Co-transporting Polypeptide (NTCP), Organic Anion Transporting Polypeptide (OATP), and Organic Cation Transporter (OCT) in cryopreserved human hepatocytes, and to examine the impact of various drugs on hepatic transporter-mediated uptake. Cryopreserved human hepatocytes were prepared using the Percoll™ method.

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Bioluminescent Approaches for In Vitro ADMET
James J Cali, Mary Sobol, Dongping Ma, Michael Valley

Bioluminescent ADMET assays couple targets of interest to the photon emitting reaction of firefly luciferase. Multiplexed cell-based assays measure compound cytotoxicity and induction of P450 transcription and enzyme activity. Cell-free membrane assays measure P450 or monoamine oxidase enzyme activities and their inhibition by test compounds.

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Initiatives For The Sharing Of Toxicity Data
Katharine Briggs

Much high-quality toxicity information is held within organisations rather than being in the public domain. Organisations would benefit from sharing this data with each other in a reciprocal manner where commercial sensitivity issues allow.

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Scientific News
Molecular Event Mapping Opens Door to more in silico Tests
It is hoped that this new approach to mapping and predicting the impact of chemical compounds in the body could reduce the need for toxicity tests in animals.
Protein-engineered Cages Aid Studies of Cell Functions
The Cages, from researchers at Tokyo Institute of Technology, to deliver an important signalling molecule, carbon monoxide, into cells.
Wallet-Sized Labs The Next Big Thing
RMIT researchers are developing inexpensive, portable toxicology laboratories so small you could fit them in your wallet.
Altered Milk Protein Can Deliver AIDS Drug to Infants
Binding with an antiretroviral drug promises to greatly improve treatment for infants and young children suffering from HIV/AIDS.
New Drug for Common Liver Disease Improves Liver Health
An experimental drug aimed at treating a common liver disease showed promising results and potential problems in a multicenter clinical trial funded by the NIH.
Immunotherapy for Cancer Toxic with Obesity
UC Davis researchers link increased body fat and lethal drug reactions in mice.
An Unlikely Use for Diamonds
Tiny diamonds provide new possibilities for accurate measurements of processes inside living cells with potential to improve drug delivery and cancer therapeutics.
Microscopic “Walkers” Find Their Way Across Cell Surfaces
Technology could provide a way to deliver probes or drugs to cell structures without outside guidance.
Revalesio’s Drug Shows Promise in Treating Alzheimer’s
Multiple published research studies outline the potential for RNS60 to effectively treat Alzheimer’s disease by protecting neuronal function and restoring neuronal plasticity.
Getting Metabolism Right
Analysis of 89 models of metabolic processes finds flaws in 44 of them — but suggests corrections.
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