Bioisosteres in Medicinal Chemistry / Methods and Principles in Medicinal Chemistry Bd.54 (ePub)
(Sprache: Englisch)
Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism.
As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in...
As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in...
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Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism.
As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development.
The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered,
while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part
covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of
protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed.
With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.
As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development.
The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered,
while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part
covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of
protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed.
With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.
Inhaltsverzeichnis zu „Bioisosteres in Medicinal Chemistry / Methods and Principles in Medicinal Chemistry Bd.54 (ePub)“
PART I: PRINCIPLES OF BIOISOSTERISM Bioisosterism in Medicinal Chemistry Classical Bioisosteres Consequences of Bioisosteric Replacement PART II: DATABASES BIOSTER - A Database of Bioisosteres and Bioanalogues Mining the Cambridge Structural Database for Bioisosteres Mining Context-Sensitive Bioisosteric Pairs PART III: METHODS TO IDENTIFY BIOISOSTERES Physicochemical Properties Molecular Topology Molecular Shape Protein Structure PART IV: APPLICATIONS The Drug Guru Project Bioisosteres of an NPY-Y5 Antagonist Perspectives from Medicinal Chemistry
Autoren-Porträt
Nathan Brown is the Head of the In Silico Medicinal Chemistry group in the Cancer Research UK Cancer Therapeutics Unit at the Institute of Cancer Research in London (UK). At the ICR, Dr. Brown and his group support the entire drug discovery portfolio together with developing new computational methodologies to enhance the drug design work. Nathan Brown conducted his doctoral research in Sheffield with Professor Peter Willett focusing on evolutionary algorithms and graph theory applied to challenges in chemoinformatics. After a two-year Marie Curie fellowship in Amsterdam in collaboration with Professor Johann Gasteiger in Erlangen, he joined the Novartis Institutes for BioMedical Research in Basel for a three year Presidential fellowship in Basel working with Professors Peter Willett and Karl-Heinz Altmann.
His work has led to the pioneering work on mulitobjective design in addition to a variety of discoveries and method development in bioisosteric identification and replacement, scaffold hopping, molecular descriptors and statistical modeling. Nathan continues to pursue his research in all aspects of medicinal chemistry.
Bibliographische Angaben
- 2012, 1. Auflage, 238 Seiten, Englisch
- Herausgegeben: Nathan Brown
- Verlag: Wiley-VCH
- ISBN-10: 3527654321
- ISBN-13: 9783527654321
- Erscheinungsdatum: 18.06.2012
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