Reusable rule-based cell cycle model explains compartment-resolved dynamics of 16 observables in RPE-1 cells

PLoS Comput Biol. 2024 Jan 8;20(1):e1011151. doi: 10.1371/journal.pcbi.1011151. eCollection 2024 Jan.

Abstract

The mammalian cell cycle is regulated by a well-studied but complex biochemical reaction system. Computational models provide a particularly systematic and systemic description of the mechanisms governing mammalian cell cycle control. By combining both state-of-the-art multiplexed experimental methods and powerful computational tools, this work aims at improving on these models along four dimensions: model structure, validation data, validation methodology and model reusability. We developed a comprehensive model structure of the full cell cycle that qualitatively explains the behaviour of human retinal pigment epithelial-1 cells. To estimate the model parameters, time courses of eight cell cycle regulators in two compartments were reconstructed from single cell snapshot measurements. After optimisation with a parallel global optimisation metaheuristic we obtained excellent agreements between simulations and measurements. The PEtab specification of the optimisation problem facilitates reuse of model, data and/or optimisation results. Future perturbation experiments will improve parameter identifiability and allow for testing model predictive power. Such a predictive model may aid in drug discovery for cell cycle-related disorders.

MeSH terms

  • Animals
  • Cell Cycle
  • Cell Division
  • Drug Discovery*
  • Humans
  • Mammals
  • Neurons*
  • Research Design

Grants and funding

JRB and DRP acknowledge support from grant PID2020-117271RB-C22 (BIODYNAMICS) funded by MCIN/AEI/10.13039/01100011033. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.