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Targeting Drug Transporters – Combining In Silico and In Vitro Approaches to Predict In Vivo

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Book cover Membrane Transporters in Drug Discovery and Development

Part of the book series: Methods in Molecular Biology ((MIMB,volume 637))

Abstract

Transporter proteins are expressed throughout the human body in different vital organs. They play an important role to various extents in determining absorption, distribution, metabolism, excretion, and toxicity (ADME/Tox) properties of therapeutic molecules. Over the past decade, numerous drug transporters have been cloned and considerable progress has been made toward understanding the molecular characteristics of individual transporters. In this chapter several in vitro and in silico techniques are described with applications to understand transporter behavior. These include employing new techniques to rapidly identify novel ligands for transporters. Ultimately these methods should lead to a greater overall appreciation of the role of transporters in vivo.

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Acknowledgments

SE gratefully acknowledges the considerable efforts of Dr. Shikha Varma (Accelrys, San Diego, CA) for making Discovery Studio Catalyst available and Ingenuity for kindly providing IPA. Dr. David Lawson is thanked for assistance with intrinsic disorder predictions, and we acknowledge the contributions of our colleagues and collaborators that contributed to some of the studies referenced above.

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Authors and Affiliations

  1. Genzyme Corporation, Waltham, MA, USA

    Praveen M. Bahadduri

  2. Department of Pharmaceutical Sciences, University of Maryland, Baltimore, MD, USA

    James E. Polli & Peter W. Swaan

  3. Collaborations in Chemistry, Jenkintown, PA, USA

    Sean Ekins

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  1. Praveen M. Bahadduri
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  2. James E. Polli
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  3. Peter W. Swaan
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  4. Sean Ekins
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Editors and Affiliations

  1. PharmTao, Santa Clara, USA

    Qing Yan

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Bahadduri, P.M., Polli, J.E., Swaan, P.W., Ekins, S. (2010). Targeting Drug Transporters – Combining In Silico and In Vitro Approaches to Predict In Vivo. In: Yan, Q. (eds) Membrane Transporters in Drug Discovery and Development. Methods in Molecular Biology, vol 637. Humana Press. https://doi.org/10.1007/978-1-60761-700-6_4

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