Identification of novel MAGE-A6- and MAGE-A12-derived HLA-A24-restricted cytotoxic T lymphocyte epitopes using an in silico peptide-docking assay

2012 ◽  
Vol 61 (12) ◽  
pp. 2311-2319 ◽  
Author(s):  
Yasuto Akiyama ◽  
Masaru Komiyama ◽  
Yoji Nakamura ◽  
Akira Iizuka ◽  
Chie Oshita ◽  
...  
Keyword(s):  
T Lymphocyte ◽  
In Silico ◽  
Cytotoxic T Lymphocyte ◽  
Peptide Docking

scholarly journals Development of a Novel In Silico Docking Simulation Model for the Fine HIV-1 Cytotoxic T Lymphocyte Epitope Mapping

PLoS ONE ◽  
2012 ◽  
Vol 7 (7) ◽  
pp. e41703 ◽  
Author(s):  
Masahiko Mori ◽  
Kei Matsuki ◽  
Tomoyuki Maekawa ◽  
Mari Tanaka ◽  
Busarawan Sriwanthana ◽  
...  
Keyword(s):  
Simulation Model ◽  
T Lymphocyte ◽  
In Silico ◽  
Epitope Mapping ◽  
Cytotoxic T Lymphocyte ◽  
Docking Simulation ◽  
In Silico Docking ◽  
Hiv 1

scholarly journals Cytotoxic T-lymphocyte elicited therapeutic vaccine candidate targeting cancer against MAGE-A11 carcinogenic protein

2020 ◽  
Vol 40 (12) ◽  
Author(s):  
Neeraj Kumar ◽  
Damini Sood ◽  
Aditya Gupta ◽  
Niraj Kumar Jha ◽  
Pallavi Jain ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Androgen Receptor ◽  
Molecular Dynamics Simulation ◽  
T Lymphocyte ◽  
In Silico ◽  
Cytotoxic T Lymphocyte ◽  
Dynamics Simulation ◽  
Radius Of Gyration ◽  
World Population ◽  
Strong Binding

Abstract Immunotherapy is a breakthrough approach for cancer treatment and prevention. By exploiting the fact that cancer cells have overexpression of tumor antigens responsible for its growth and progression, which can be identified and removed by boosting the immune system. In silico techniques have provided efficient ways for developing preventive measures to ward off cancer. Herein, we have designed a potent cytotoxic T-lymphocyte epitope to elicit a desirable immune response against carcinogenic melanoma-associated antigen-A11. Potent epitope was predicted using reliable algorithms and characterized by advanced computational avenue CABS molecular dynamics simulation, for full flexible binding with HLA-A*0201 and androgen receptor to large-scale rearrangements of the complex system. Results showed the potent immunogenic construct (KIIDLVHLL), from top epitopes using five algorithms. Molecular docking analyses showed the strong binding of epitope with HLA-A*0201 and androgen receptor with docking score of −780.6 and −641.06 kcal/mol, respectively. Molecular dynamics simulation analysis revealed strong binding of lead epitope with androgen receptor by involvement of 127 elements through atomic-model study. Full flexibility study showed stable binding of epitope with an average root mean square deviation (RMSD) 2.21 Å and maximum RMSD value of 6.48 Å in optimal cluster density area. The epitope also showed remarkable results with radius of gyration 23.0777 Å, world population coverage of 39.08% by immune epitope database, and transporter associated with antigen processing (TAP) affinity IC50 value of 2039.65 nm. Moreover, in silico cloning approach confirmed the expression and translation capacity of the construct within a suitable expression vector. The present study paves way for a potential immunogenic construct for prevention of cancer.

Cytotoxic T-lymphocyte antigen-4 haplotypes and T cell activation in irritable bowel syndrome

2007 ◽  
Vol 45 (08) ◽  
Author(s):  
T Liebregts ◽  
B Adam ◽  
C Bredack ◽  
S Lester ◽  
S Downie-Doyle ◽  
...  
Keyword(s):  
Irritable Bowel Syndrome ◽  
T Cell ◽  
T Cell Activation ◽  
T Lymphocyte ◽  
Cell Activation ◽  
Cytotoxic T Lymphocyte ◽  
Lymphocyte Antigen ◽  
Irritable Bowel
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