PMID- 30624775
OWN - NLM
STAT- MEDLINE
DCOM- 20200526
LR  - 20200526
IS  - 1097-4652 (Electronic)
IS  - 0021-9541 (Linking)
VI  - 234
IP  - 8
DP  - 2019 Aug
TI  - Protein modeling, molecular network and molecular dynamics study of newly 
      sequenced interleukin-18 (IL-18) gene in Mus musculus.
PG  - 14285-14295
LID - 10.1002/jcp.28127 [doi]
AB  - Interleukin-18 (IL-18) belongs to the superfamily of IL-1 protein and exerts a 
      pleiotropic pro-inflammatory effect on the body. Generally, this protein is 
      significantly involved in immune defense during infection in cells, but sometimes 
      its anomalous activities produce some inflammatory diseases like rheumatoid 
      arthritis and Crohn's disease. In the present study, the IL-18 gene was isolated 
      from mice and was subsequently cloned and sequenced. Further, the network 
      analysis was carried out to explore the functional role of IL-18 protein in 
      animals. The 3D protein structure of the IL-18 protein was generated and docked 
      with appropriate 3-([3-cholamidopropyl]dimethylammonio)-1-propanesulfonate (CPS) 
      ligand. Later the complex structure of the protein was subjected to molecular 
      dynamics simulation (MDS) for 50 ns to determine the effect of ligand on protein. 
      The network analysis explored the correlation of IL-18 protein with others 
      proteins and their involvement in the different significant pathway to defend the 
      cell from various diseases. As confirmed by MDS, the CPS:IL-18 complex was found 
      to be highly stable. Our results further indicated that CPS ligand has the 
      potential to act as a drug molecule, in future, for counteracting IL-18 activity. 
      To date, no structural details were available for animal IL-18. Hence, the 
      finding of this study will be useful in broadening the horizon towards a better 
      understanding of the functional and structural aspects of IL-18 in animals.
CI  - (c) 2019 Wiley Periodicals, Inc.
FAU - Yadav, Brijesh S
AU  - Yadav BS
AUID- ORCID: 0000-0002-3095-3369
AD  - Department of Bioengineering, University of Information Science and Technology, 
      Republic of Macedonia.
FAU - Chaturvedi, Navaneet
AU  - Chaturvedi N
AD  - School of Biochemical Engineering, Indian Institute of Technology, Banaras Hindu 
      University, Varanasi, Uttar Pradesh, India.
FAU - Yadav, Pavan K
AU  - Yadav PK
AD  - Department of Veterinary Physiology & Biochemistry, Faculty of Veterinary and 
      Animal Sciences, Banaras Hindu University, Varanasi, Uttar Pradesh, India.
FAU - Marina, Ninoslav
AU  - Marina N
AD  - Department of Bioengineering, University of Information Science and Technology, 
      Republic of Macedonia.
FAU - Ganash, Magdah
AU  - Ganash M
AD  - Department of Biology, Faculty of Science, King Abdulaziz University, Jeddah, 
      Saudi Arabia.
FAU - Barreto, George E
AU  - Barreto GE
AUID- ORCID: 0000-0002-6644-1971
AD  - Departamento de Nutricion y Bioquimica, Facultad de Ciencias, Pontificia 
      Universidad Javeriana, Bogota DC, Colombia.
AD  - Instituto de Ciencias Biomedicas, Universidad Autonoma de Chile, Santiago, Chile.
FAU - Ashraf, Ghulam Md
AU  - Ashraf GM
AD  - King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Saudi 
      Arabia.
FAU - Ahmad, Khurshid
AU  - Ahmad K
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
FAU - Baig, Mohammad H
AU  - Baig MH
AD  - Department of Medical Biotechnology, Yeungnam University, Gyeongsan, South Korea.
LA  - eng
PT  - Journal Article
DEP - 20190109
PL  - United States
TA  - J Cell Physiol
JT  - Journal of cellular physiology
JID - 0050222
RN  - 0 (Alkanesulfonic Acids)
RN  - 0 (Interleukin-18)
RN  - 0 (Ligands)
RN  - 28553-80-2 (propylsulfonic acid)
SB  - IM
MH  - Alkanesulfonic Acids/chemistry
MH  - Amino Acid Sequence/genetics
MH  - Animals
MH  - Arthritis, Rheumatoid/genetics
MH  - Cloning, Molecular
MH  - Crohn Disease/genetics
MH  - Humans
MH  - Interleukin-18/*chemistry/*genetics/isolation & purification
MH  - Ligands
MH  - Mice
MH  - *Molecular Conformation
MH  - Molecular Dynamics Simulation
MH  - Protein Binding/genetics
MH  - Protein Conformation
MH  - *Structure-Activity Relationship
OTO - NOTNLM
OT  - cloning and sequencing
OT  - functional enrichment
OT  - interleukin-18
OT  - molecular dynamics
OT  - network analysis
EDAT- 2019/01/10 06:00
MHDA- 2020/05/27 06:00
CRDT- 2019/01/10 06:00
PHST- 2018/10/04 00:00 [received]
PHST- 2018/12/10 00:00 [accepted]
PHST- 2019/01/10 06:00 [pubmed]
PHST- 2020/05/27 06:00 [medline]
PHST- 2019/01/10 06:00 [entrez]
AID - 10.1002/jcp.28127 [doi]
PST - ppublish
SO  - J Cell Physiol. 2019 Aug;234(8):14285-14295. doi: 10.1002/jcp.28127. Epub 2019 
      Jan 9.