skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Structure-Guided Development of Deoxycytidine Kinase Inhibitors with Nanomolar Affinity and Improved Metabolic Stability

Journal Article · · Journal of Medicinal Chemistry
DOI:https://doi.org/10.1021/jm501124j· OSTI ID:1163572
 [1]; ; ; ; ; ; ; ; ;  [1]; ; ; ; ;  [1]
  1. Department of Biochemistry and Molecular Genetics, and ‡Center for Pharmaceutical Biotechnology, University of Illinois at Chicago, Chicago, Illinois 60607, United States

Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02- 06CH11357
OSTI ID:
1163572
Journal Information:
Journal of Medicinal Chemistry, Journal Name: Journal of Medicinal Chemistry Vol. 57 Journal Issue: 22; ISSN 0022-2623
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 13 works
Citation information provided by
Web of Science

References (30)

PRODRG : a tool for high-throughput crystallography of protein–ligand complexes journal July 2004
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods journal October 2002
Semianalytical treatment of solvation for molecular mechanics and dynamics journal August 1990
Co-targeting of convergent nucleotide biosynthetic pathways for leukemia eradication journal February 2014
Development of New Deoxycytidine Kinase Inhibitors and Noninvasive in Vivo Evaluation Using Positron Emission Tomography journal August 2013
Deoxycytidine kinase regulates the G2/M checkpoint through interaction with cyclin-dependent kinase 1 in response to DNA damage journal July 2012
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids journal January 1996
Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l - and d -Nucleosides journal May 2007
MULTI-FORTE, a microcomputer program for modelling and simulation of pharmacokinetic data journal December 1986
Highly enantioselective borane reduction of ketones catalyzed by chiral oxazaborolidines. Mechanism and synthetic implications journal September 1987
Solution-Phase Parallel Synthesis with Oligoethylene Glycol Sorting Tags. Preparation of All Four Stereoisomers of the Hydroxybutenolide Fragment of Murisolin and Related Acetogenins journal April 2006
A Deficiency in Nucleoside Salvage Impairs Murine Lymphocyte Development, Homeostasis, and Survival journal March 2012
Role of Biotransformation Studies in Minimizing Metabolism-Related Liabilities in Drug Discovery journal March 2008
[64] Guanylate kinases from human erythrocytes, hog brain, and rat liver book January 1978
Features and development of Coot journal March 2010
BOOMER, a simulation and modeling program for pharmacokinetic and pharmacodynamic data analysis journal July 1989
REFMAC 5 for the refinement of macromolecular crystal structures journal March 2011
Comparison of simple potential functions for simulating liquid water journal July 1983
Nucleoside salvage pathway kinases regulate hematopoiesis by linking nucleotide metabolism with replication stress journal November 2012
Structural Basis for the Preference of UTP over ATP in Human Deoxycytidine Kinase:  Illuminating the Role of Main-Chain Reorganization journal January 2006
Molecular modeling of organic and biomolecular systems usingBOSS andMCPRO journal January 2005
Requirement for deoxycytidine kinase in T and B lymphocyte development journal December 2009
Molecular replacement with MOLREP journal December 2009
Free Energies of Hydration from a Generalized Born Model and an All-Atom Force Field journal October 2004
Structure of human dCK suggests strategies to improve anticancer and antiviral therapy journal June 2003
Structure and function of cellular deoxyribonucleoside kinases journal August 2002
XDS journal January 2010
Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules journal December 2013
Structural Basis for Substrate Promiscuity of dCK journal May 2008
Improved semiempirical heats of formation through the use of bond and group equivalents journal March 2002

Similar Records

Structure-Guided Development of Deoxycytidine Kinase Inhibitors with Nanomolar Affinity and Improved Metabolic Stability
Journal Article · Fri Feb 13 00:00:00 EST 2015 · J. Med. Chem. · OSTI ID:1163572

Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules
Journal Article · Mon Aug 25 00:00:00 EDT 2014 · Acta Crystallographica. Section D. Structural Biology · OSTI ID:1163572

Discovery of highly potent and selective Bruton’s tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability
Journal Article · Fri Jan 01 00:00:00 EST 2016 · Bioorganic and Medicinal Chemistry Letters · OSTI ID:1163572

Related Subjects