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Membranes
Special Issues
Modern Studies on Drug-Membrane Interactions 2.0
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Modern Studies on Drug-Membrane Interactions 2.0

A special issue of Membranes (ISSN 2077-0375). This special issue belongs to the section "Biological Membrane Functions".

Deadline for manuscript submissions: closed (25 October 2023) | Viewed by 5641

Special Issue Editors

Dr. Olga Yurevna Selyutina

E-Mail Website
Guest Editor
Institute of Chemical Kinetics and Combustion, Institutskaya St., 3, 630090 Novosibirsk, Russia
Interests: drug delivery systems; drug-membrane interaction; antiviral drugs; metal chelators; antitumor drugs; anthracycline antibiotics; glycyrrhizic acid; thiosemicarbazones; lipid peroxidation; nuclear magnetic resonance; molecular dynamics simulations
Special Issues, Collections and Topics in MDPI journals
Dr. Nikolay Polyakov

E-Mail Website
Guest Editor
Institute of Chemical Kinetics and Combustion, Russian Academy of Sciences, 630090 Novosibirsk, Russia
Interests: carotenoids; drug delivery systems; spin chemistry; free radicals; antioxidant activity; electron transfer; membrane biophysics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Since the target of many drugs is inside the cell, the study of drug interactions with cell membranes is at the heart of understanding the mechanism of drug action in organisms. Such studies open up new perspectives for rational drug design, based not only on the interaction of a drug molecule with the active site of an enzyme, but also on the interaction with a biological membrane (membrane permeability for a drug, the effect of a drug molecule on the structure and dynamics of biological membranes). The results of such studies make it possible to evaluate and analyze the bioavailability and efficacy of a medicinal product. This Special Issue, titled “Modern Studies on Drug–Membrane Interactions” and published by the journal Membranes, seeks contributions to assess state-of-the-art research as well as future developments in the field of drug–membrane interaction studies. Topics include, but are not limited to, the interactions of drugs and natural compounds with biomimetic membranes, including liposomes, monolayers, and micelles; in-cell studies of drug–membrane interaction; new techniques and methods in the study of drug–membrane interactions. Authors are invited to submit their latest results; both original papers and reviews are welcome.

Dr. Olga Yurevna Selyutina
Dr. Nikolay Polyakov
Guest Editors

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. Membranes is an international peer-reviewed open access monthly 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 2200 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

  • lipid membrane
  • drug–membrane interaction
  • membrane permeability
  • drug delivery

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Published Papers (2 papers)

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Research

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12 pages, 5349 KiB  
Article
The Interaction of the Transmembrane Domain of SARS-CoV-2 E-Protein with Glycyrrhizic Acid in Lipid Bilayer
by Polina A. Kononova, Olga Yu. Selyutina and Nikolay E. Polyakov
Membranes 2023, 13(5), 505; https://doi.org/10.3390/membranes13050505 - 10 May 2023
Cited by 1 | Viewed by 2663
Abstract
The interaction of the transmembrane domain of SARS-CoV-2 E-protein with glycyrrhizic acid in a model lipid bilayer (small isotropic bicelles) is demonstrated using various NMR techniques. Glycyrrhizic acid (GA) is the main active component of licorice root, and it shows antiviral activity against [...] Read more.
The interaction of the transmembrane domain of SARS-CoV-2 E-protein with glycyrrhizic acid in a model lipid bilayer (small isotropic bicelles) is demonstrated using various NMR techniques. Glycyrrhizic acid (GA) is the main active component of licorice root, and it shows antiviral activity against various enveloped viruses, including coronavirus. It is suggested that GA can influence the stage of fusion between the viral particle and the host cell by incorporating into the membrane. Using NMR spectroscopy, it was shown that the GA molecule penetrates into the lipid bilayer in a protonated state, but localizes on the bilayer surface in a deprotonated state. The transmembrane domain of SARS-CoV-2 E-protein facilitates deeper GA penetration into the hydrophobic region of bicelles at both acidic and neutral pH and promotes the self-association of GA at neutral pH. Phenylalanine residues of the E-protein interact with GA molecules inside the lipid bilayer at neutral pH. Furthermore, GA influences the mobility of the transmembrane domain of SARS-CoV-2 E-protein in the bilayer. These data provide deeper insight into the molecular mechanism of antiviral activity of glycyrrhizic acid. Full article
(This article belongs to the Special Issue Modern Studies on Drug-Membrane Interactions 2.0)
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Review

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15 pages, 767 KiB  
Review
Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery
by Austen Bernardi, W. F. Drew Bennett, Stewart He, Derek Jones, Dan Kirshner, Brian J. Bennion and Timothy S. Carpenter
Membranes 2023, 13(11), 851; https://doi.org/10.3390/membranes13110851 - 25 Oct 2023
Viewed by 2613
Abstract
Passive permeation of cellular membranes is a key feature of many therapeutics. The relevance of passive permeability spans all biological systems as they all employ biomembranes for compartmentalization. A variety of computational techniques are currently utilized and under active development to facilitate the [...] Read more.
Passive permeation of cellular membranes is a key feature of many therapeutics. The relevance of passive permeability spans all biological systems as they all employ biomembranes for compartmentalization. A variety of computational techniques are currently utilized and under active development to facilitate the characterization of passive permeability. These methods include lipophilicity relations, molecular dynamics simulations, and machine learning, which vary in accuracy, complexity, and computational cost. This review briefly introduces the underlying theories, such as the prominent inhomogeneous solubility diffusion model, and covers a number of recent applications. Various machine-learning applications, which have demonstrated good potential for high-volume, data-driven permeability predictions, are also discussed. Due to the confluence of novel computational methods and next-generation exascale computers, we anticipate an exciting future for computationally driven permeability predictions. Full article
(This article belongs to the Special Issue Modern Studies on Drug-Membrane Interactions 2.0)
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