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Peplomer bulb shape and coronavirus rotational diffusivity.

M A Kanso¹, V Chaurasia², E Fried²

¹Chemical Engineering Department, Polymers Research Group, Queen's University, Kingston, Ontario K7L 3N6, Canada.

Physics of Fluids (Woodbury, N.Y. : 1994)

|January 10, 2022

Summary

This summary is machine-generated.

This study reveals that the triangular shape of coronavirus spike bulbs reduces particle rotation in suspension. Accounting for spike bulb triangularity offers a more accurate calculation of rotational diffusivity for coronaviruses.

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Area of Science:

Physics
Biophysics
Computational Biology

Background:

Previous models simplified coronavirus spikes as single beads.
The triangular structure of spike bulbs was not previously considered in rotational diffusivity calculations.
Coronavirus spikes are glycoprotein trimers with triangular bulbous structures.

Purpose of the Study:

To investigate the impact of coronavirus spike bulb triangularity on rotational diffusivity.
To refine the calculation of rotational diffusivity using a more realistic spike model.
To explore the role of energy minimization in spike arrangement on a spherical capsid.

Main Methods:

Modeling coronavirus spikes as bead triplets with identical charges.
Employing energy minimization to determine the arrangement of triangular bulbs on the capsid.
Calculating rotational diffusivity from first principles using general rigid bead-rod theory.

Main Results:

The triangularity of spike bulbs significantly decreases rotational diffusivity.
A typical peplomer population of 74 showed a reduction in rotational diffusivity due to bulb triangularity.
Spike translation and twisting relative to the capsid were accounted for.

Conclusions:

Bulb triangularity is a crucial factor influencing coronavirus particle rotation in suspension.
The refined model provides a more accurate understanding of coronavirus hydrodynamics.
This research contributes to the accurate biophysical characterization of viruses.