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A Medicinal Chemistry Perspective on Structure-Based Drug Design and Development

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Structure-Based Drug Discovery

Part of the book series: Methods in Molecular Biology ((MIMB,volume 841))

Abstract

The application of X-ray crystallography and molecular modeling can provide valuable insight into the optimization of the molecular interactions of a drug–protein complex to achieve potency and selectivity of a drug candidate. For the successful application of SBDD in a drug development program, the impact of these structural modifications required to improve potency and selectivity must be considered in the context of balancing of a multitude of drug properties and other considerations that include solubility, bioavailability, metabolism, distribution, toxicology, chemical stability, and intellectual property space. The utility of structure-based design from the medicinal chemist’s perspective is described in this chapter.

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    Shawn P. Maddaford

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  1. Trius Therapeutics, Nancy Ridge Dr. 6310, San Diego, 92121, California, USA

    Leslie W. Tari

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© 2012 Springer Science+Business Media, LLC

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Maddaford, S.P. (2012). A Medicinal Chemistry Perspective on Structure-Based Drug Design and Development. In: Tari, L. (eds) Structure-Based Drug Discovery. Methods in Molecular Biology, vol 841. Humana Press. https://doi.org/10.1007/978-1-61779-520-6_15

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  • DOI: https://doi.org/10.1007/978-1-61779-520-6_15

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  • Publisher Name: Humana Press

  • Print ISBN: 978-1-61779-519-0

  • Online ISBN: 978-1-61779-520-6

  • eBook Packages: Springer Protocols

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