Active droplets controlled by enzymatic reactions.

IF 3.7 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Journal of The Royal Society Interface Pub Date : 2025-05-01 Epub Date: 2025-05-07 DOI:10.1098/rsif.2024.0803
Jacques Fries, Javier Diaz, Marie Jardat, Ignacio Pagonabarraga, Pierre Illien, Vincent Dahirel
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引用次数: 0

Abstract

The formation of condensates is now considered a major organizing principle of eukaryotic cells. Several studies have recently shown that the properties of these condensates are affected by enzymatic reactions. We propose here a simple generic model to study the interplay between two enzyme populations and a two-state protein. In one state, the protein forms condensed droplets through attractive interactions, while in the other state, the proteins remain dispersed. Each enzyme catalyses the production of one of these two protein states only when reactants are in its vicinity. A key feature of our model is the explicit representation of enzyme trajectories, capturing the fluctuations in their local concentrations. The spatially dependent growth rate of droplets naturally arises from the stochastic motion of these explicitly modelled enzymes. Using two complementary numerical methods-(i) Brownian dynamics simulations and (ii) a hybrid method combining Cahn-Hilliard-Cook diffusion equations with Brownian dynamics for the enzymes-we investigate how enzyme concentration and dynamics influence the evolution with time and the steady-state number and size of droplets. Our results show that the concentration and diffusion coefficient of enzymes govern the formation and size-selection of biocondensates.

由酶促反应控制的活性液滴。
凝析物的形成现在被认为是真核细胞的主要组织原理。最近的一些研究表明,这些凝聚物的性质受到酶反应的影响。我们在这里提出了一个简单的通用模型来研究两种酶种群和两态蛋白之间的相互作用。在一种状态下,蛋白质通过吸引相互作用形成凝聚的液滴,而在另一种状态下,蛋白质保持分散。只有当反应物在其附近时,每种酶才能催化这两种蛋白质状态中的一种的产生。我们的模型的一个关键特征是酶轨迹的明确表示,捕捉其局部浓度的波动。液滴的空间依赖性生长速率自然产生于这些明确模拟的酶的随机运动。使用两种互补的数值方法-(i)布朗动力学模拟和(ii)将Cahn-Hilliard-Cook扩散方程与酶的布朗动力学相结合的混合方法-我们研究了酶浓度和动力学如何影响随时间的演化以及液滴的稳态数量和大小。结果表明,酶的浓度和扩散系数决定了生物凝聚物的形成和粒径的选择。
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来源期刊
Journal of The Royal Society Interface
Journal of The Royal Society Interface 综合性期刊-综合性期刊
CiteScore
7.10
自引率
2.60%
发文量
234
审稿时长
2.5 months
期刊介绍: J. R. Soc. Interface welcomes articles of high quality research at the interface of the physical and life sciences. It provides a high-quality forum to publish rapidly and interact across this boundary in two main ways: J. R. Soc. Interface publishes research applying chemistry, engineering, materials science, mathematics and physics to the biological and medical sciences; it also highlights discoveries in the life sciences of relevance to the physical sciences. Both sides of the interface are considered equally and it is one of the only journals to cover this exciting new territory. J. R. Soc. Interface welcomes contributions on a diverse range of topics, including but not limited to; biocomplexity, bioengineering, bioinformatics, biomaterials, biomechanics, bionanoscience, biophysics, chemical biology, computer science (as applied to the life sciences), medical physics, synthetic biology, systems biology, theoretical biology and tissue engineering.
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