Jenardhanan Pranitha, Panneerselvam Manivel, Mathur Premendu P
Centre for Bioinformatics, Pondicherry University, Puducherry, India.
Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry, India.
Methods Mol Biol. 2018;1748:253-277. doi: 10.1007/978-1-4939-7698-0_18.
The Sertoli cell, the somatic component of seminiferous tubule, provides nutritional support and immunological protection and supports overall growth and division of germ cells. Cytoskeletons, junction proteins, and kinases in Sertoli cells are prime targets for reproductive toxicants and other environmental contaminants. Among the varied targets, the kinases that are crucial for regulating varied activities in spermatogenesis such as assembly/disassembly of blood-testis barrier and apical ES and those that are involved in conferring polarity are highly targeted. In an attempt to study the effect of toxicants on these kinases, the present chapter deals with computational methodology concerning their three-dimensional structure prediction, identification of inhibitors, and understanding of conformational changes induced by these inhibitors.
支持细胞是生精小管的体细胞成分，提供营养支持和免疫保护，并支持生殖细胞的整体生长和分裂。支持细胞中的细胞骨架、连接蛋白和激酶是生殖毒物和其他环境污染物的主要作用靶点。在众多作用靶点中，对精子发生过程中各种活动（如血睾屏障和顶端外特化结构的组装/拆卸）的调节至关重要的激酶以及那些参与赋予极性的激酶是高度靶向的作用对象。为了研究毒物对这些激酶的影响，本章讨论了有关其三维结构预测、抑制剂鉴定以及对这些抑制剂诱导的构象变化的理解的计算方法。
