Accession Number : ADA572958


Title :   Classification of Scaffold-Hopping Approaches


Descriptive Note : Journal article


Corporate Author : ARMY MEDICAL RESEARCH AND MATERIEL COMMAND FORT DETRICK MD TELEMEDICINE AND ADVANCED TECH RESEARCH CENTER


Personal Author(s) : Sun, Hongmao ; Tawa, Gregory ; Wallqvist, Anders


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a572958.pdf


Report Date : Nov 2011


Pagination or Media Count : 16


Abstract : The general goal of drug discovery is to identify novel compounds that are active against a preselected biological target with acceptable pharmacological properties defined by marketed drugs. Scaffold hopping has been widely applied by medicinal chemists to discover equipotent compounds with novel backbones that have improved properties. In this article we classify scaffold hopping into four major categories, namely heterocycle replacements, ring opening or closure, peptidomimetics and topology-based hopping. We review the structural diversity of original and final scaffolds with respect to each category. We discuss the advantages and limitations of small, medium and large-step scaffold hopping. Finally, we summarize software that is frequently used to facilitate different kinds of scaffold-hopping methods.


Descriptors :   *PHARMACOLOGY , CLASSIFICATION , DRUGS , REPRINTS


Subject Categories : Pharmacology


Distribution Statement : APPROVED FOR PUBLIC RELEASE