Results of molecular docking.

Severe Fever with Thrombocytopenia Syndrome virus (SFTSV) is a novel identified pathogen, despite two decades of research on SFTSV, the potential widespread threats pose a significant challenge for researchers in developing new treatment and prevention methods. In this present, we have developed a multi-epitope mRNA vaccine for SFTSV and valid it with in silico methods. We screened 9 immunodominant epitopes for cytotoxic T cells (CTL), 7 for helper T cells (HTL), and 8 for Linear B-cell (LBL) based on promising candidate protein Gn, Gc, Np, and NSs. All predicted epitopes demonstrated strong antigenicity without any potential harm to humans. Additionally, the high conservancy is required to cover different strains. All epitopes as well as adjuvants were constructed into a final vaccine, which was further assesd by calculating of physicochemical properties. Then, we docked the vaccine protein with immune receptors and analyzed the complexes with dynamic simulations to evaluate its affinity to receptors. Finally, the vaccine sequence was constructed into a mRNA sequence. The constructed vaccine is a potential candidate for combating SFTSV by stimulating protective humoral and cellular immune responses.发热伴血小板减少综合征病毒（Severe Fever with Thrombocytopenia Syndrome virus, SFTSV）是一种新发现的病原体。尽管针对SFTSV已有二十年的研究积累，但其潜在的大范围传播威胁仍为研发新型治疗与预防手段的科研人员带来了严峻挑战。 本研究中，我们开发了一款针对SFTSV的多表位mRNA疫苗，并通过虚拟计算（in silico）方法对其进行验证。我们基于候选优势蛋白Gn、Gc、Np及NSs，筛选得到9个细胞毒性T淋巴细胞（cytotoxic T cells, CTL）免疫优势表位、7个辅助性T淋巴细胞（helper T cells, HTL）免疫优势表位以及8个线性B细胞（Linear B-cell, LBL）表位。所有预测得到的表位均表现出较强的抗原性，且未对人体存在任何潜在危害。此外，为覆盖不同毒株，所选表位需具备较高的序列保守性。随后，我们将所有表位与佐剂整合为最终疫苗候选体，并通过理化性质分析对其开展进一步评估。继而，我们将该疫苗蛋白与免疫受体进行分子对接，并通过分子动力学模拟分析其复合物结构，以评估其与受体的结合亲和力。最后，我们将该疫苗的蛋白序列反向编译为mRNA序列。所构建的疫苗候选体可通过激发保护性体液免疫与细胞免疫应答，成为对抗SFTSV的潜在候选疫苗。