PMID- 22823166
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20121002
LR  - 20140731
IS  - 1746-0441 (Print)
IS  - 1746-0441 (Linking)
VI  - 5
IP  - 6
DP  - 2010 Jun
TI  - Rational design of CCR2 antagonists: a survey of computational studies.
PG  - 543-57
LID - 10.1517/17460441.2010.482559 [doi]
AB  - IMPORTANCE OF THE FIELD: CC-chemokine receptor 2 (CCR2) belongs to the GPCR 
      superfamily and is the primary receptor for monocyte chemoattractant protein-1 
      (MCP-1), also known as chemokine ligand CCL2. Studies indicate the possible 
      involvement of MCP-1 and CCR2 in various disease conditions, such as rheumatic 
      arthritis, multiple sclerosis, vascular diseases, obesity and diabetes, via the 
      inflammatory pathway. MCP-1 and CCR2 knockout mice under a broad range of stimuli 
      exhibit deficient monocyte recruitment suggesting its potential role in 
      inflammation. Overall, there is evidence that an impairment of monocyte 
      trafficking in inflammation models occurs when there is a loss of MCP-1 effector 
      function. This makes its receptor, CCR2, an attractive target for pharmaceutical 
      research. Several small molecular CCR2 antagonists have been developed, 
      particularly in the industry. AREAS COVERED IN THIS REVIEW: In this article, we 
      have summarized the in silico work carried out in the area of CCR2 and reviewed 
      mainly the computer aided drug design (CADD) studies reported on quantitative 
      structure-activity relationship, homology modeling, molecular docking and virtual 
      screening. WHAT THE READER WILL GAIN: A survey of computational studies for the 
      rational design and development of CCR2 antagonists. TAKE HOME MESSAGE: CADD 
      tools can be used to rationalize the identification of the potential leads and 
      these techniques can be effectively applied in the rapid searching of novel and 
      potent CCR2 antagonists.
FAU - Sobhia, Masilamani Elizabeth
AU  - Sobhia ME
AD  - National Institute of Pharmaceutical Education and Research (NIPER), Centre for 
      Pharmacoinformatics, Sector-67, S.A.S. Nagar, Mohali-160 062, India +91 172 
      2214682 86; ext. 2025 ; +91 172 2214692 ; mesophia@niper.ac.in.
FAU - Singh, Rajesh
AU  - Singh R
FAU - Kare, Pavan
AU  - Kare P
FAU - Chavan, Swapnil
AU  - Chavan S
LA  - eng
PT  - Journal Article
DEP - 20100514
PL  - England
TA  - Expert Opin Drug Discov
JT  - Expert opinion on drug discovery
JID - 101295755
EDAT- 2010/06/01 00:00
MHDA- 2010/06/01 00:01
CRDT- 2012/07/25 06:00
PHST- 2012/07/25 06:00 [entrez]
PHST- 2010/06/01 00:00 [pubmed]
PHST- 2010/06/01 00:01 [medline]
AID - 10.1517/17460441.2010.482559 [doi]
PST - ppublish
SO  - Expert Opin Drug Discov. 2010 Jun;5(6):543-57. doi: 10.1517/17460441.2010.482559. 
      Epub 2010 May 14.