Akhtar Nahid, Magdaleno Jorge Samuel Leon, Ranjan Suryakant, Wani Atif Khurshid, Grewal Ravneet Kaur, Oliva Romina, Shaikh Abdul Rajjak, Cavallo Luigi, Chawla Mohit
Department of Research and Innovation, STEMskills Research and Education Lab Private Limited, Faridabad 121002, India.
Physical Sciences and Engineering Division, Kaust Catalysis Center, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
Vaccines (Basel). 2023 Feb 5;11(2):364. doi: 10.3390/vaccines11020364.
is an opportunistic pathogen associated with oral and invasive fungal infections in immune-compromised individuals. Furthermore, the emergence of antifungal drug resistance could exacerbate its treatment. Hence, in this study a multi-epitope vaccine candidate has been designed using an immunoinformatics approach by targeting secreted aspartyl proteinases (SAP) proteins. In silico tools have been utilized to predict epitopes and determine their allergic potential, antigenic potential, toxicity, and potential to elicit interleukin-2 (IL2), interleukin-4 (IL4), and IFN-γ. Using the computational tools, eight epitopes have been predicted that were then linked with adjuvants for final vaccine candidate development. Computational immune simulation has depicted that the immunogen designed emerges as a strong immunogenic candidate for a vaccine. Further, molecular docking and molecular dynamics simulation analyses revealed stable interactions between the vaccine candidate and the human toll-like receptor 5 (TLR5). Finally, immune simulations corroborated the promising candidature of the designed vaccine, thus calling for further in vivo investigation.
是一种机会性病原体,与免疫功能低下个体的口腔和侵袭性真菌感染有关。此外,抗真菌药物耐药性的出现可能会加剧其治疗难度。因此,在本研究中,通过免疫信息学方法,以分泌天冬氨酸蛋白酶(SAP)蛋白为靶点,设计了一种多表位疫苗候选物。利用计算机工具预测表位,并确定其过敏潜力、抗原潜力、毒性以及引发白细胞介素-2(IL2)、白细胞介素-4(IL4)和干扰素-γ的潜力。使用这些计算工具,预测了八个表位,然后将它们与佐剂连接起来,用于最终疫苗候选物的开发。计算机免疫模拟表明,所设计的免疫原是一种强大的疫苗免疫原候选物。此外,分子对接和分子动力学模拟分析显示,疫苗候选物与人类Toll样受体5(TLR5)之间存在稳定的相互作用。最后,免疫模拟证实了所设计疫苗有前景的候选资格,因此需要进一步进行体内研究。