TY  - BOOK
AU  - Brown,Nathan
TI  - Scaffold hopping in medicinal chemistry
T2  - Methods and principles in medicinal chemistry
SN  - 9783527665174
AV  - RS403 
U1  - 615.1/9 23
PY  - 2013///
CY  - Weinheim, Germany
PB  - Wiley-VCH Verlag GmbH & Co., KGaA
KW  - Pharmaceutical chemistry
KW  - Chemistry, Pharmaceutical
KW  - methods
KW  - Drug Design
KW  - Pharmaceutical Preparations
KW  - chemistry
KW  - Drug Evaluation, Preclinical
KW  - Databases, Factual
KW  - MEDICAL
KW  - Pharmacology
KW  - bisacsh
KW  - fast
KW  - Electronic books
N1  - Includes bibliographical references and index; Scaffolds: identification, representation diversity, and navigation -- Identifying and representing scaffolds -- Markush structures and chemical patents -- Scaffold diversity in medicinal chemistry space -- Scaffold mining of publicly available compound data -- Exploring virtual scaffold spaces -- Scaffold-hopping methods -- Similarity-based scaffold hopping using 2D fingerprints -- CATS for scaffold hopping in medicinal chemistry -- Reduced graphs -- Feature trees -- Feature point pharmacophores (FEPOPS) -- Three-dimensional scaffold replacement methods -- Spherical harmonic molecular surfaces (ParaSurf and ParaFit) -- The XED force field and spark -- Molecular interaction fingerprints -- SkelGen -- Case Studies -- Case study 1: scaffold hopping for T-type calcium channel and glycine transporter type inhibitors -- Case study 2: bioisosteric replacements for the neurokinin receptor (NK1R) -- Case study 3: fragment hopping to design highly potent and selective neuronal nitric oxide synthase inhibitors
UR  - http://dx.doi.org/10.1002/9783527665143
ER  -