Abstract

Bombyx mori is an insect of economic importance in the production of silk. It often gets infected by Nosema bombycis, an intracellular parasite. The infection causes a fatal disease known as a Pebrine which affects the development of the worm. The infected larvae of silkworms are coated with brown spots and are unable to spin the silkworm thread. They lose appetite, become sluggish, opaque and ultimately die. The Spore Wall Protein 5 is an exospore protein in N. bombycis and interacts with the polar tube proteins PTP2 and PTP3, a part of the extrusion apparatus that facilitates infection of the host. SWP5 also plays an essential part in maintaining the structural integrity of the spore wall and could possibly regulate the route of the infection in N. bombycis. In the present study, the homology modelling of three protein structures SWP5, PTP2 and PTP3 were performed. The protein–protein interaction was studied and a complete complex of SWP5, PTP2 and PTP3 was generated to understand the discharge of the penetrating polar tube. Virtual screening and molecular dynamics simulation was performed and a potential lead-like molecule is identified.

Communicated by Ramaswamy H. Sarma

摘要

Bombyx mori是一种在丝绸生产中具有重要经济意义的昆虫。它经常被细胞内寄生虫Nosema bombycis感染。这种感染会导致一种称为 Pebrine 的致命疾病，这种疾病会影响蠕虫的发育。被感染的蚕幼虫身上有褐色斑点，无法纺出蚕丝。他们食欲不振，变得迟钝，不透明并最终死亡。孢子壁蛋白 5 是家蚕中的一种外孢子蛋白，它与极管蛋白PTP2和 PTP3 相互作用，这是促进宿主感染的挤压装置的一部分。SWP5 在维持孢子壁的结构完整性方面也发挥着重要作用，并可能调节孢子的感染途径。N. bombycis。在本研究中，进行了三种蛋白质结构 SWP5、PTP2 和 PTP3 的同源性建模。研究了蛋白质-蛋白质相互作用，并生成了一个完整的 SWP5、PTP2 和 PTP3 复合物，以了解穿透极管的放电。进行了虚拟筛选和分子动力学模拟，并确定了潜在的铅样分子。

由 Ramaswamy H. Sarma 传达