Background: Human Papillomavirus (HPV) is the main biological agent causing Sexually Transmitted Diseases (STDs), including precancerous lesions and several types of prevalent cancers. To date, numerous types of vaccines are designed to prevent high-risk HPV. However, their prophylactic effect is not the same and does not clear previous infections. Therefore, there is an urgent need for developing therapeutic vaccines that trigger cell-mediated immune responses for the treatment of HPV. The HPV16 E6 and E7 proteins are ideal targets for vaccine therapy against HPV. Fusion protein vaccines, which include both immunogenic interest protein and an adjuvant for augmenting the immunogenicity effects, are theoretically capable of guaranteeing the power of the immune system against HPV.

Methods: A vaccine construct, including HPV16 E6/E7 proteins along with a heat shock protein GP96 (E6/E7-NTGP96 construct), was designed using in silico methods. By the aid of the SWISS-- MODEL server, the optimal 3D model of the designed vaccine was selected, and then the physicochemical and molecular parameters were performed using bioinformatics tools. Docking studies were done to evaluate the binding interaction of the vaccine. Allergenicity, immunogenicity, B, and T cell epitopes of the designed construct were predicted.

Results: Immunological and structural computational results illustrated that our designed construct is potentially proper for stimulation of cellular and humoral immune responses against HPV.

Conclusion: Computational studies showed that the E6/E7-NTGP96 construct is a promising candidate vaccine that needs further in vitro and in vivo evaluations.

背景：人乳头瘤病毒 (HPV) 是导致性传播疾病 (STD) 的主要生物因子，包括癌前病变和几种常见的癌症。迄今为止，设计了多种类型的疫苗来预防高危型 HPV。然而，它们的预防效果并不相同，并且不能清除以前的感染。因此，迫切需要开发能够触发细胞介导的免疫反应来治疗 HPV 的治疗性疫苗。HPV16 E6 和 E7 蛋白是针对 HPV 疫苗治疗的理想靶点。融合蛋白疫苗包括免疫原性目的蛋白和用于增强免疫原性作用的佐剂，理论上能够保证免疫系统对抗HPV的能力。

方法：使用计算机方法设计疫苗构建体，包括 HPV16 E6/E7 蛋白和热休克蛋白 GP96（E6/E7-NTGP96 构建体）。借助 SWISS--MODEL 服务器，选择设计疫苗的最佳 3D 模型，然后使用生物信息学工具执行理化和分子参数。进行对接研究以评估疫苗的结合相互作用。预测了设计构建体的变应原性、免疫原性、B 和 T 细胞表位。

结果：免疫学和结构计算结果表明，我们设计的构建体可能适合刺激针对 HPV 的细胞和体液免疫反应。

结论：计算研究表明，E6/E7-NTGP96 构建体是一种有前景的候选疫苗，需要进一步的体外和体内评估。