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Biophysica
Special Issues
The Structure and Function of Proteins, Lipids, and Nucleic Acids
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The Structure and Function of Proteins, Lipids, and Nucleic Acids

A special issue of Biophysica (ISSN 2673-4125).

Deadline for manuscript submissions: 30 June 2024 | Viewed by 813

Special Issue Editor

Dr. Ivo Crnolatac

E-Mail Website1 Website2
Guest Editor
Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, Croatia
Interests: biomolecular interactions; DNA/RNA; protein structure; protein function; drug discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The primary focus of this Special Issue is to unravel how biomacromolecules, including proteins, nucleic acids and lipids, engage with one another and their environment at the molecular level. In this Special Issue, we are committed to showcasing essential and captivating studies that shed light on various interactions between biomacromolecules. Moreover, we extend the invitation for manuscripts exploring the multifaceted landscape of biomolecular structure and function, investigating topics such as protein folding and stability.

Beyond that, we are eager to embrace contributions highlighting innovations in biophysical techniques. These innovations not only facilitate, but also catalyse further advancements in this field of research. Your insights and groundbreaking work in these areas are not only valued, but are essential for continued progress in the field of biophysics.

We eagerly anticipate your valuable contributions to this Special Issue which promises to demonstrate the collaborative and pioneering spirit of our biophysical scientific community.

Dr. Ivo Crnolatac
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Biophysica is an international peer-reviewed open access quarterly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • biomacromolecule
  • biomolecular interactions
  • biomolecular structure and function
  • protein folding and stability
  • biophysical techniques

Published Papers (1 paper)

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Research

13 pages, 3453 KiB  
Article
Deciphering the Molecular Interaction Process of Gallium Maltolate on SARS-CoV-2 Main and Papain-Like Proteases: A Theoretical Study
by Kevin Taype-Huanca, Manuel I. Osorio, Diego Inostroza, Luis Leyva-Parra, Lina Ruíz, Ana Valderrama-Negrón, Jesús Alvarado-Huayhuaz, Osvaldo Yañez and William Tiznado
Biophysica 2024, 4(2), 182-194; https://doi.org/10.3390/biophysica4020013 - 10 Apr 2024
Viewed by 560
Abstract
This study explored the inhibitory potential of gallium maltolate against severe acute respiratory syndrome coronavirus 2 and main and papain-like proteases. Computational methods, including density functional theory and molecular docking, were used to assess gallium maltolate reactivity and binding interactions. Density functional theory [...] Read more.
This study explored the inhibitory potential of gallium maltolate against severe acute respiratory syndrome coronavirus 2 and main and papain-like proteases. Computational methods, including density functional theory and molecular docking, were used to assess gallium maltolate reactivity and binding interactions. Density functional theory calculations revealed gallium maltolate’s high electron-capturing capacity, particularly around the gallium metal atom, which may contribute to their activity. Molecular docking demonstrated that gallium maltolate can form strong hydrogen bonds with key amino acid residues like glutamate-166 and cysteine-145, tightly binding to main and papain-like proteases. The binding energy and interactions of gallium maltolate were comparable to known SARS-CoV-2 inhibitors like N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide, indicating its potential as an antiviral agent. However, further experimental validation is required to confirm its effectiveness in inhibiting SARS-CoV-2 replication and treating COVID-19. Full article
(This article belongs to the Special Issue The Structure and Function of Proteins, Lipids, and Nucleic Acids)
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