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Rational Drug Design Using Integrative Structural Biology

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Rational Drug Design

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1824))

Abstract

Modern drug discovery and design approaches rely heavily on high-throughput methods and state-of-the-art infrastructures with robotic facilities and sophisticated platforms. However, the anticipated research output that would eventually lead to new drugs with minimal or no side effects to the market has not been achieved. Despite the vast amount of information generated, very little is converted to knowledge and even less is capitalized for cross-discipline research actions. Therefore, the need for re-launching rational approaches has become apparent. Here we present an overview of the new trends in rational drug design using integrative structural biology with emphasis on X-ray protein crystallography and small molecules as ligands. With the aim to increase researchers’ awareness on the available possibilities to perform front line research, we also underline the benefits and enhanced prospects offered to the scientific community, through access to research infrastructures.

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Abbreviations

3D:

Three dimensional

DLS:

Dynamic light scattering

DMSO:

Dimethyl sulfoxide

EM:

Electron microscopy

HPLC:

High-performance liquid chromatography

HR-MS:

High-resolution mass spectrometry

MALLS:

Multi-angle laser light scattering

NMR:

Nuclear magnetic resonance

RI:

Research infrastructure

SAXS:

Small-angle X-ray scattering

SEC:

Size exclusion chromatography

SRS:

Synchrotron radiation source

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Author notes

  1. Magda S. Chegkazi

    Present address: Faculty of Life Sciences and Medicine, Randall Centre for Cell and Molecular Biophysics, King’s College London, London, UK

Authors and Affiliations

  1. Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, Athens, Greece

    Magda S. Chegkazi, Michael Mamais, Anastasia I. Sotiropoulou & Evangelia D. Chrysina

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  1. Magda S. Chegkazi
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  2. Michael Mamais
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  3. Anastasia I. Sotiropoulou
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  4. Evangelia D. Chrysina
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Corresponding author

Correspondence to Evangelia D. Chrysina .

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Editors and Affiliations

  1. Division of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, Zografou, Athens, Greece

    Thomas Mavromoustakos

  2. Division of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, Zografou, Athens, Greece

    Tahsin F. Kellici

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Chegkazi, M.S., Mamais, M., Sotiropoulou, A.I., Chrysina, E.D. (2018). Rational Drug Design Using Integrative Structural Biology. In: Mavromoustakos, T., Kellici, T. (eds) Rational Drug Design. Methods in Molecular Biology, vol 1824. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-8630-9_6

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  • DOI: https://doi.org/10.1007/978-1-4939-8630-9_6

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  • Print ISBN: 978-1-4939-8629-3

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