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Prediction and validation of potent peptides against herpes simplex virus type 1 via immunoinformatic and systems biology approach.
- Source :
-
Chemical biology & drug design [Chem Biol Drug Des] 2019 Sep; Vol. 94 (5), pp. 1868-1883. Date of Electronic Publication: 2019 Sep 12. - Publication Year :
- 2019
-
Abstract
- The human herpes simplex virus type 1 (HSV-1) is an extremely rampant human pathogen, and its infection could cause life-long diseases, including the central nervous system disorders. The glycoproteins of HSV-1 such as glycoprotein B, glycoprotein C, glycoprotein D, glycoprotein H, and glycoprotein L are highly involved in mediating the viral attachment and infection of the host cell. Therefore, immunoinformatic approaches followed by molecular dynamics simulation and systems biology has been used to analyze these glycoproteins in order to propose effective peptide-based vaccine candidates against the HSV-1 infection. The ElliPro and NetCTL.1.2 online tools were employed to forecast the B- and T-lymphocyte (CTL) epitopes for gB, gC, gD, gH, and gL. The 3D coordinates of these epitopes were modeled and docked against the human major histocompatibility complex molecule-1. The outcomes obtained from postdocking analysis along with TAP (Transporter associated with antigen processing), MHC binding, and C-terminal cleavage score assisted in the selection of potential epitopes. These epitopes were further subjected to molecular dynamics simulation and systems biology approach which showed significant results. On the basis of these substantial outcomes, peptides are proposed that could be used to provoke immunity against the HSV-1 infection.<br /> (© 2019 John Wiley & Sons A/S.)
- Subjects :
- Amino Acid Sequence
B-Lymphocytes metabolism
Humans
Hydrophobic and Hydrophilic Interactions
Molecular Dynamics Simulation
Protein Binding
Protein Conformation
Systems Biology
T-Lymphocytes metabolism
Vaccines, Subunit chemistry
Epitopes chemistry
Glycoproteins immunology
Herpesviridae Infections prevention & control
Herpesvirus 1, Human immunology
Herpesvirus Vaccines immunology
Peptides chemistry
Viral Envelope Proteins immunology
Subjects
Details
- Language :
- English
- ISSN :
- 1747-0285
- Volume :
- 94
- Issue :
- 5
- Database :
- MEDLINE
- Journal :
- Chemical biology & drug design
- Publication Type :
- Academic Journal
- Accession number :
- 31437863
- Full Text :
- https://doi.org/10.1111/cbdd.13602