Department of Genetic Engineering and Biotechnology, School of Life Sciences, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh.
Maternal and Child Health Program, Department of Medical Genetics, Faculty of Medicine and Dentistry, University of Alberta, 8440 112 St. NW, Edmonton, AB T6G 2R7, Canada.
Curr Pharm Biotechnol. 2020;21(4):325-340. doi: 10.2174/1389201020666191112161743.
Chikungunya is an arthropod-borne viral disease characterized by abrupt onset of fever frequently accompanied by joint pain, which has been identified in over 60 countries in Africa, the Americas, Asia, and Europe.
Regardless of the availability of molecular knowledge of this virus, no definite vaccine or other remedial agents have been developed yet. In the present study, a combination of B-cell and T-cell epitope predictions, followed by molecular docking simulation approach has been carried out to design a potential epitope-based peptide vaccine, which can trigger a critical immune response against the viral infections.
A total of 52 sequences of E1 glycoprotein from the previously reported isolates of Chikungunya outbreaks were retrieved and examined through in silico methods to identify a potential B-cell and T-cell epitope. From the two separate epitope prediction servers, five potential B-cell epitopes were selected, among them "NTQLSEAHVEKS" was found highly conserved across strains and manifests high antigenicity with surface accessibility, flexibility, and hydrophilicity. Similarly, two highly conserved, non-allergenic, non-cytotoxic putative T-cell epitopes having maximum population coverage were screened to bind with the HLA-C 12*03 molecule. Molecular docking simulation revealed potential T-cell based epitope "KTEFASAYR" as a vaccine candidate for this virus.
A combination of these B-cell and T-cell epitope-based vaccine can open up a new skyline with broader therapeutic application against Chikungunya virus with further experimental and clinical investigation.
基孔肯雅热是一种虫媒病毒性疾病,其特征为突然发作的高热,常伴有关节疼痛,已在非洲、美洲、亚洲和欧洲的 60 多个国家发现。
尽管已经对这种病毒的分子知识有了一定的了解,但尚未开发出明确的疫苗或其他治疗药物。在本研究中,采用 B 细胞和 T 细胞表位预测相结合的方法,然后进行分子对接模拟,设计了一种基于潜在表位的肽疫苗,该疫苗可以引发针对病毒感染的关键免疫反应。
共检索并通过计算机方法分析了之前报告的基孔肯雅热暴发分离株的 E1 糖蛋白 52 个序列,以鉴定潜在的 B 细胞和 T 细胞表位。从两个独立的表位预测服务器中,选择了五个潜在的 B 细胞表位,其中“NTQLSEAHVEKS”在不同菌株中高度保守,具有高抗原性、表面可及性、柔韧性和亲水性。同样,筛选了两个高度保守、非变应原性、非细胞毒性的假定 T 细胞表位,它们具有最大的人群覆盖率,以与 HLA-C 12*03 分子结合。分子对接模拟显示,基于 T 细胞的潜在表位“KTEFASAYR”是该病毒的候选疫苗。
基于这些 B 细胞和 T 细胞表位的疫苗联合应用,可以为基孔肯雅热病毒开辟新的前景,具有更广泛的治疗应用,需要进一步的实验和临床研究。