Literature DB >> 17253116

Comparative QSAR studies on PAMPA/modified PAMPA for high throughput profiling of drug absorption potential with respect to Caco-2 cells and human intestinal absorption.

Rajeshwar P Verma1, Corwin Hansch, Cynthia D Selassie.   

Abstract

Despite the dramatic increase in speed of synthesis and biological evaluation of new chemical entities, the number of compounds that survive the rigorous processes associated with drug development is low. Thus, an increased emphasis on thorough ADMET (absorption, distribution, metabolism, excretion and toxicity) studies based on in vitro and in silico approaches allows for early evaluation of new drugs in the development phase. Artificial membrane permeability measurements afford a high throughput, relatively low cost but labor intensive alternative for in vitro determination of drug absorption potential; parallel artificial membrane permeability assays have been extensively utilized to determine drug absorption potentials. The present study provides comparative QSAR analysis on PAMPA/modified PAMPA for high throughput profiling of drugs with respect to Caco-2 cells and human intestinal absorption.

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Year:  2007        PMID: 17253116     DOI: 10.1007/s10822-006-9101-z

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN: 0920-654X            Impact factor:   3.686


  29 in total

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Review 3.  High throughput physicochemical profiling for drug discovery.

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Review 5.  Prediction of intestinal absorption and blood-brain barrier penetration by computational methods.

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Review 8.  Comparative QSAR and the radical toxicity of various functional groups.

Authors:  Cynthia D Selassie; Rajni Garg; Sanjay Kapur; Alka Kurup; Rajeshwar P Verma; Suresh Babu Mekapati; Corwin Hansch
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9.  High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes.

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  8 in total

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6.  In Silico Prediction of Intestinal Permeability by Hierarchical Support Vector Regression.

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8.  Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?

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  8 in total

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