BioCores: identification of a drug/natural product-based privileged structural motif for small-molecule lead discovery.
The analysis of known drugs (Comprehensive Medicinal Chemistry database (2008 version): http://www.mdl.com/products/knowledge/medicinal_chem/index.jsp ) and natural products (Koch et al., Proc Natl Acad Sci USA 102:17272-17277, 2008) has led to the identification of privileged saturated and aromatic heterocyclic ring pairs that we have termed as "BioCores." This article explains how the BioCores can be used for the design of novel lead-like scaffolds.
Kombarov
Roman
R
ASINEX Ltd, 20 Geroev Panfilovtzev Str. Bldg 1, Moscow, 125480, Russia. rkombarov@asinex.com
Altieri
Andrea
A
Genis
Dmitry
D
Kirpichenok
Mikhail
M
Kochubey
Valeriy
V
Rakitina
Natalia
N
Titarenko
Zoya
Z
D000470:Alkaloids / Q000737:chemistry; D001688:Biological Products / Q000737:chemistry*; D016208:Databases, Factual; D055808:Drug Discovery / Q000379:methods*; D006571:Heterocyclic Compounds / Q000737:chemistry*; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D054852:Small Molecule Libraries
D000470:Alkaloids; D001688:Biological Products; D006571:Heterocyclic Compounds; D004364:Pharmaceutical Preparations; D054852:Small Molecule Libraries