دورية أكاديمية
Design of a novel multi-epitope vaccine candidate against Chlamydia trachomatis using structural and nonstructural proteins: an immunoinformatics study.
| العنوان: | Design of a novel multi-epitope vaccine candidate against Chlamydia trachomatis using structural and nonstructural proteins: an immunoinformatics study. |
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| المؤلفون: | Abdulabbas HT; Department of Medical Microbiology, Medical College, Al Muthanna University, Al Muthanna, Iraq., Mohammad Ali AN; Department of Biology, University of Baghdad, Baghdad, Iraq., Farjadfar A; Department of medical Biotechnology, Fasa University of Medical Sciences, Fasa, Iran., Arabfard M; Chemical Injuries Research Center, Systems Biology and Poisonings Institute, Baqiyatallah University of Medical Sciences, Tehran, Iran., Najafipour S; School of Advanced Technologies in Medicine, Fasa University of Medical Sciences, Fasa, Iran., Kouhpayeh A; Department of Pharmacology, Faculty of Medicine, Fasa University of Medical Sciences, Fasa, Iran., Ghasemian A; Noncommunicable Diseases Research Center, Fasa University of Medical Sciences, Fasa, Iran., Behmard E; School of Advanced Technologies in Medicine, Fasa University of Medical Sciences, Fasa, Iran. |
| المصدر: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 May; Vol. 42 (8), pp. 4356-4369. Date of Electronic Publication: 2023 Jun 08. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: June 2012- : Oxon, UK : Taylor & Francis Original Publication: Guilderland, NY : Adenine Press, [c1983- |
| مواضيع طبية MeSH: | Bacterial Vaccines*/immunology , Chlamydia Infections*/immunology , Chlamydia Infections*/prevention & control , Chlamydia trachomatis*/immunology, Humans ; Amino Acid Sequence ; Computational Biology/methods ; Epitopes/immunology ; Epitopes/chemistry ; Epitopes, T-Lymphocyte/immunology ; Epitopes, T-Lymphocyte/chemistry ; Immunoinformatics ; Interferon-gamma/immunology ; Interferon-gamma/metabolism ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protein Binding ; Toll-Like Receptor 4/immunology ; Toll-Like Receptor 4/chemistry |
| مستخلص: | Chlamydia trachomatis ( C. trachomatis ) is an obligate intracellular bacterium which causes eye and sexually transmitted infections. During pregnancy, the bacterium is associated with preterm complications, low weight of neonates, fetal demise and endometritis leading to infertility. The aim of our study was design of a multi-epitope vaccine (MEV) candidate against C. trachomatis . After protein sequence adoption from the NCBI, potential epitopes toxicity, antigenicity, allergenicity, MHC-I and MHC-II binding, cytotoxic T lymphocytes (CTLs), Helper T lymphocytes (HTLs) and interferon-γ (IFN-γ)- induction were predicted. The adopted epitopes were fused together using appropriate linkers. In the next step, the MEV structural mapping and characterization, three-dimensional (3D) structure homology modeling and refinement were also performed. The MEV candidate interaction with the toll-like receptor 4 (TLR4) was also docked. The immune responses simulation was assessed using the C-IMMSIM server. Molecular dynamic (MD) simulation verified the structural stability of the TLR4-MEV complex. The Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) approach demonstrated the MEV high affinity of binding to the TLR4, MHC-I and MHC-II. The MEV construct was also stable and water soluble and had enough antigenicity and lacked allergenicity with stimulation of T cells and B cells and INF-γ release. The immune simulation confirmed acceptable responses of both the humoral and cellular arms. It is proposed that in vitro and in vivo studies are needed to evaluate the findings of this study.Communicated by Ramaswamy H. Sarma. |
| فهرسة مساهمة: | Keywords: Chlamydia trachomatis; molecular dynamic simulation; multi-epitope vaccine; sexually transmitted diseases; surface proteins |
| المشرفين على المادة: | 0 (Bacterial Vaccines) 0 (Epitopes) 0 (Epitopes, T-Lymphocyte) 82115-62-6 (Interferon-gamma) 0 (Toll-Like Receptor 4) |
| تواريخ الأحداث: | Date Created: 20230608 Date Completed: 20240425 Latest Revision: 20240429 |
| رمز التحديث: | 20240430 |
| DOI: | 10.1080/07391102.2023.2220812 |
| PMID: | 37288800 |
| قاعدة البيانات: | MEDLINE |
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