Novel Chimeric Vaccine Candidate Development against Leptotrichia buccalis

Abdulrahman Alshammari, Abdullah F. Alasmari, Metab Alharbi, Nemat Ali, Ziyad Tariq Muhseen, Usman Ali Ashfaq (), Miraj Ud-din, Asad Ullah, Muhammad Arshad and Sajjad Ahmad ()
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Abdulrahman Alshammari: Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Abdullah F. Alasmari: Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Metab Alharbi: Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Nemat Ali: Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Ziyad Tariq Muhseen: Department of Pharmacy, Al-Mustaqbal University College, Hillah, Babylon 51001, Iraq
Usman Ali Ashfaq: Department of Bioinformatics and Biotechnology, Government College, University Faisalabad, Faisalabad 38000, Pakistan
Miraj Ud-din: Department of Health and Biological Sciences, Abasyn University, Peshawar 25000, Pakistan
Asad Ullah: Department of Health and Biological Sciences, Abasyn University, Peshawar 25000, Pakistan
Muhammad Arshad: Centre of Biotechnology and Microbiology, University of Peshawar, Peshawar 25000, Pakistan
Sajjad Ahmad: Department of Health and Biological Sciences, Abasyn University, Peshawar 25000, Pakistan

IJERPH, 2022, vol. 19, issue 17, 1-15

Abstract: The misuse of antibiotics in our daily lives has led to the emergence of antimicrobial resistance. As a result, many antibiotics are becoming ineffective. This phenomenon is linked with high rates of mortality and morbidity. Therefore, new approaches are required to address this major health issue. Leptotrichia buccalis is a Gram-negative, rod-shaped bacterium which normally resides in the oral and vaginal cavities. It is an emerging bacterial pathogen which is developing new antibiotic-resistance mechanisms. No approved vaccine is available against this pathogen, which is a cause for growing concern. In this study, an in silico-based, multi-epitopes vaccine against this pathogen was designed by applying reverse vaccinology and immunoinformatic approaches. Of a total of 2193 predicted proteins, 294 were found to be redundant while 1899 were non-redundant. Among the non-redundant proteins, 6 were predicted to be present in the extracellular region, 12 in the periplasmic region and 23 in the outer-membrane region. Three proteins (trypsin-like peptidase domain-containing protein, sel1 repeat family protein and TrbI/VirB10 family protein) were predicted to be virulent and potential subunit vaccine targets. In the epitopes prediction phase, the three proteins were subjected to B- and T-cell epitope mapping; 19 epitopes were used for vaccine design. The vaccine construct was docked with MHC-I, MHC-II and TLR-4 immune receptors and only the top-ranked complex (based on global energy value) was selected in each case. The selected docked complexes were examined in a molecular dynamic simulation and binding free energies analysis in order to assess their intermolecular stability. It was observed that the vaccine binding mode with receptors was stable and that the system presented stable dynamics. The net binding free energy of complexes was in the range of −300 to −500 kcal/mol, indicating the formation of stable complexes. In conclusion, the data reported herein might help vaccinologists to formulate a chimeric vaccine against the aforementioned target pathogen.

Keywords: Leptotrichia buccalis; multi-epitopes vaccine; molecular docking; molecular dynamics simulation (search for similar items in EconPapers)
JEL-codes: I I1 I3 Q Q5 (search for similar items in EconPapers)
Date: 2022
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