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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

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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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Acknowledgements

This is dedicated to Yvonne Martin for her seminal contributions to QSAR: as a pioneer and innovative practitioner as well as a strong advocate for the science.

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Authors and Affiliations

  1. Department of Chemistry, Pomona College, 645 North College Avenue, Claremont, 91711, CA, USA

    Rajeshwar P. Verma, Corwin Hansch & Cynthia D. Selassie

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  1. Rajeshwar P. Verma
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  2. Corwin Hansch
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  3. Cynthia D. Selassie
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Correspondence to Cynthia D. Selassie.

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Verma, R.P., Hansch, C. & Selassie, C.D. 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. J Comput Aided Mol Des 21, 3–22 (2007). https://doi.org/10.1007/s10822-006-9101-z

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  • DOI: https://doi.org/10.1007/s10822-006-9101-z

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