Particle Simulation Approach for Sub-cellular Dynamics and Interactions of Biological Molecules

Azuma, Ryuzo; Kitagawa, T.; Kobayashi, Hiroshi; Konagaya, Akihiko

doi:10.1109/imsccs.2006.101

Cited by 1 publication

(1 citation statement)

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“…An energy-based model has been designed for the molecular reaction-diffusion dynamics involved with the cytomembrane, cytoskeletons, and organelle membranes. The existence of a clustering associated with receptor-cluster rafts and the “fluid mosaic model” in the plasma membrane was confirmed based on this perspective ( Azuma et al, 2006 ). With the development of computer hardware and algorithms, Coarse-Grained MD simulations have been widely extended beyond the cytomembrane, entering the domain of organelles and subcellular structures ( Chavent et al, 2016 ).…”

Section: Molecular Dynamics Simulations Approach For Organelle Intera...mentioning

confidence: 77%

Organelle Interaction and Drug Discovery: Towards Correlative Nanoscopy and Molecular Dynamics Simulation

Yang

Zhang²,

Zhao³

et al. 2022

Front. Pharmacol.

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The inter-organelle interactions, including the cytomembrane, endoplasmic reticulum, mitochondrion, lysosome, dictyosome, and nucleus, play the important roles in maintaining the normal function and homeostasis of cells. Organelle dysfunction can lead to a range of diseases (e.g., Alzheimer’s disease (AD), Parkinson’s disease (PD), and cancer), and provide a new perspective for drug discovery. With the development of imaging techniques and functional fluorescent probes, a variety of algorithms and strategies have been developed for the ever-improving estimation of subcellular structures, organelle interaction, and organelle-related drug discovery with accounting for the dynamic structures of organelles, such as the nanoscopy technology and molecular dynamics (MD) simulations. Accordingly, this work summarizes a series of state-of-the-art examples of the recent progress in this rapidly changing field and uncovering the drug screening based on the structures and interactions of organelles. Finally, we propose the future outlook for exciting applications of organelle-related drug discovery, with the cooperation of nanoscopy and MD simulations.

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Section: Molecular Dynamics Simulations Approach For Organelle Intera...mentioning

confidence: 77%

Organelle Interaction and Drug Discovery: Towards Correlative Nanoscopy and Molecular Dynamics Simulation

Yang

Zhang²,

Zhao³

et al. 2022

Front. Pharmacol.

View full text Add to dashboard Cite

show abstract

Particle Simulation Approach for Sub-cellular Dynamics and Interactions of Biological Molecules

Cited by 1 publication

References 30 publications

Organelle Interaction and Drug Discovery: Towards Correlative Nanoscopy and Molecular Dynamics Simulation

Organelle Interaction and Drug Discovery: Towards Correlative Nanoscopy and Molecular Dynamics Simulation

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