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Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition

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Ligand-Macromolecular Interactions in Drug Discovery

Part of the book series: Methods in Molecular Biology ((MIMB,volume 572))

Summary

Molecular recognition is mediated by three main factors: surface complementarity, thermodynamics, and associated physicochemical properties. These principles are responsible for ligand–target binding and therefore serve as the foundation for the design of new biologically relevant chemical entities. As these principles are involved in nearly all biological processes, a firm understanding of the details involved in binding is necessary for drug design. The consideration of these factors individually has proven useful; however, the combined effect of these governing principles is most important. And despite extensive studies, there are still many gaps in our understanding of this recognition process. The aim of this chapter is to introduce the basic concepts of ligand binding to set the stage for the following chapters, while briefly discussing fundamental techniques of drug design, including the indispensable tools of molecular modeling.

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Author information

Authors and Affiliations

  1. Department of Medicinal Chemistry, University of Mississippi, University, Jackson, MS, USA

    Tammy Nolan & Nidhi Singh

  2. Department of Medicinal Chemistry and Department of Pharmacology, School of Pharmacy, University of Mississippi, University, Jackson, MS, USA

    Christopher R. McCurdy

Authors
  1. Tammy Nolan
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  2. Nidhi Singh
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  3. Christopher R. McCurdy
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Editor information

Editors and Affiliations

  1. Fac. Ciências e Tecnologia, Depto. Química, Universidade Nova de Lisboa, Quinta da Torre, Caparica, 2829-516, Portugal

    Ana Cecília A. Roque

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© 2010 Humana Press

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Nolan, T., Singh, N., McCurdy, C.R. (2010). Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition. In: Roque, A. (eds) Ligand-Macromolecular Interactions in Drug Discovery. Methods in Molecular Biology, vol 572. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-60761-244-5_2

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  • DOI: https://doi.org/10.1007/978-1-60761-244-5_2

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  • Publisher Name: Humana Press, Totowa, NJ

  • Print ISBN: 978-1-60761-243-8

  • Online ISBN: 978-1-60761-244-5

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