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Biochemistry and Molecular Biology of Coronaviruses

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Microbiology".

Deadline for manuscript submissions: 20 December 2025 | Viewed by 2616

Special Issue Editor


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Guest Editor
1. Laboratory for Conservation and Utilization of Bio-Resources, Yunnan University, Kunming 650091, China
2. Key Laboratory for Tumor Molecular Biology of High Education in Yunnan Province, School of Life Sciences, Yunnan University, Kunming 650091, China
Interests: QSAR

Special Issue Information

Dear Colleagues,

This Special Issue focuses on the biochemistry and molecular biology of coronaviruses, which are RNA viruses responsible for global health crises like SARS-CoV, MERS-CoV, and SARS-CoV-2 (the cause of COVID-19).   Understanding their molecular mechanisms is essential for developing effective therapies and preventive measures.

We invite original research articles and comprehensive reviews exploring aspects such as viral replication, transcription, protein synthesis, assembly and egress pathways, viral protein structure and function, genome organization, host–virus interactions, and drug development. Studies employing advanced techniques such as cryo-electron microscopy, X-ray crystallography, next-generation sequencing, proteomics, computational modeling, and innovative in vitro and in vivo approaches are also highly valued. Topics of interest include host immune responses, immune evasion strategies, the roles of non-structural and accessory proteins in pathogenesis, the emergence of new variants, and the identification of novel antiviral targets. Research focusing on antiviral therapies, including drugs and vaccines, and diagnostic tools grounded in molecular insights is also welcome.

By disseminating cutting-edge research and fostering collaboration among scientists dedicated to unraveling the molecular complexities of coronaviruses, this Special Issue aims to advance our understanding of coronaviruses.   We hope to support global efforts to manage and prevent coronavirus-related health challenges, paving the way for more effective diagnostic tools, therapeutic interventions, and preventive strategies to safeguard global health.

Dr. Shu-Qun Liu
Guest Editor

Manuscript Submission Information

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Keywords

  • SARS-CoV
  • MERS-CoV
  • COVID-19
  • RNA viruses
  • infection
  • antivirals
  • vaccines
  • therapeutics
  • host-virus interactions

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Published Papers (2 papers)

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Research

17 pages, 432 KiB  
Article
Patterns of Recombination in Coronaviruses
by Ricardo Soares, Cristina P. Vieira and Jorge Vieira
Int. J. Mol. Sci. 2025, 26(12), 5595; https://doi.org/10.3390/ijms26125595 - 11 Jun 2025
Viewed by 148
Abstract
By bringing together different variant combinations, recombination can contribute to adaptation in Coronaviridae species, some of which infect humans, and have given rise to epidemics and a pandemic. Therefore, in this work, the impact of the use of different recombination inference methods and [...] Read more.
By bringing together different variant combinations, recombination can contribute to adaptation in Coronaviridae species, some of which infect humans, and have given rise to epidemics and a pandemic. Therefore, in this work, the impact of the use of different recombination inference methods and sample sizes is addressed using data from 21 Coronaviridae species, and recombination inferences are further supported using a phylogenetic approach. Recombination patterns are shown not to vary greatly between species. A positive correlation is found between gene position and recombination rates, suggesting intrinsic variation in recombination rates along the genome. Within and between species recombination patterns are shown to differ, the module type being the most prevalent between species except for the Membrane and Nucleocapsid genes, whose products are known to interact and thus must co-evolve, explaining why the two genes are often recombined as one unit. It is also shown that within species, the module type is prevalent for the Spike gene only. Moreover, a positive correlation between recombination and selection is here reported. Therefore, intratypic recombination patterns are also shaped by selection. Recombination may thus be an important source of variability upon which selection can act. Full article
(This article belongs to the Special Issue Biochemistry and Molecular Biology of Coronaviruses)
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22 pages, 4648 KiB  
Article
Dissecting the Binding Affinity of Anti-SARS-CoV-2 Compounds to Human Transmembrane Protease, Serine 2: A Computational Study
by Yue-Hui Shi, Jian-Xin Shen, Yan Tao, Yuan-Ling Xia, Zhi-Bi Zhang, Yun-Xin Fu, Ke-Qin Zhang and Shu-Qun Liu
Int. J. Mol. Sci. 2025, 26(2), 587; https://doi.org/10.3390/ijms26020587 - 11 Jan 2025
Viewed by 1521
Abstract
The human transmembrane protease, serine 2 (TMPRSS2), essential for SARS-CoV-2 entry, is a key antiviral target. Here, we computationally profiled the TMPRSS2-binding affinities of 15 antiviral compounds. Molecular dynamics (MD) simulations for the docked complexes revealed that three compounds exited the substrate-binding cavity [...] Read more.
The human transmembrane protease, serine 2 (TMPRSS2), essential for SARS-CoV-2 entry, is a key antiviral target. Here, we computationally profiled the TMPRSS2-binding affinities of 15 antiviral compounds. Molecular dynamics (MD) simulations for the docked complexes revealed that three compounds exited the substrate-binding cavity (SBC), suggesting noncompetitive inhibition. Of the remaining compounds, five charged ones exhibited reduced binding stability due to competing electrostatic interactions and increased solvent exposure, while seven neutral compounds showed stronger binding affinity driven by van der Waals (vdW) interactions compensating for unfavorable electrostatic effects (including electrostatic interactions and desolvation penalties). Positive and negative hotspot residues were identified as uncharged and charged, respectively, both lining the SBC. Despite forming diverse interactions with compounds, the burial of positive hotspots led to strong vdW interactions that overcompensated for unfavorable electrostatic effects, whereas negative hotspots incurred high desolvation penalties, negating any favorable contributions. Charged residues at the SBC’s outer rim can reduce binding affinity significantly when forming hydrogen bonds or salt bridges. These findings underscore the importance of enhancing vdW interactions with uncharged residues and minimizing the unfavorable electrostatic effects of charged residues, providing valuable insights for designing effective TMPRSS2 inhibitors. Full article
(This article belongs to the Special Issue Biochemistry and Molecular Biology of Coronaviruses)
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