Faculty of Engineering, Università CAMPUS Bio-Medico, Via A. del Portillo, 21, 00128 Rome, Italy.
Environment and Health Department, Istituto Superiore di Sanità, Viale Regina Elena, 299, 00161 Roma, Italy.
Curr Opin Struct Biol. 2015 Apr;31:43-8. doi: 10.1016/j.sbi.2015.03.001. Epub 2015 Mar 18.
Protein molecules work as a whole, so that any local perturbation may resonate on the entire structure: allostery deals with this general property of protein molecules. It is worth noting a perturbation does not necessarily involve a conformational change but, more generally, it travels across the structure as an 'energy signal'. The atomic interactions within the network provide the structural support for this 'signaling highway'. Network descriptors, capturing network signaling efficiency, explain allostery in terms of signal transmission. In this review we will survey the key applications of graph theory to protein allostery. The complex network approach introduces a new perspective in biochemistry; as for applications, the development of new drugs relying on allosteric effects (allo-network drugs) represents a promising avenue of contact network formalism.
蛋白质分子作为一个整体发挥作用,因此任何局部扰动都可能在整个结构上产生共鸣:变构作用就是处理蛋白质分子的这种普遍特性。值得注意的是,扰动不一定涉及构象变化,而是更普遍地,它作为“能量信号”在结构中传播。网络中的原子相互作用为这种“信号高速公路”提供了结构支持。网络描述符捕捉网络信号效率,根据信号传递来解释变构作用。在这篇综述中,我们将调查图论在蛋白质变构中的关键应用。复杂网络方法为生物化学带来了新的视角;就应用而言,依赖变构效应的新药开发(变构网络药物)代表了联系网络形式主义的一个有前途的途径。