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Advances in Antibacterial Molecules

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 30 June 2024 | Viewed by 1432

Special Issue Editor


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Guest Editor
Centro de Biotecnología Genómica, Instituto Politécnico Nacional, Boulevard del Maestro s/n, Col. Narciso Mendoza, Reynosa 88710, Tamaulipas, Mexico
Interests: medicinal chemistry; synthetic organic chemistry; immunology of infectious diseases; medicinal and pharmaceutical chemistry; antibodies
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Special Issue Information

Dear Colleagues,

Bacteria are the cause of different infectious diseases that have an impact on public health worldwide, causing high morbidity and mortality rates. In the past, many drugs have been developed to prevent and control these infectious diseases. However, in the few last decades, multidrug resistance (MDR) has emerged as a significant public health problem that must be addressed. Despite its importance, current pharmacological treatment has unreliable efficacy against the group of bacteria denominated ESKAPE (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa and Enterobacter spp.). Therefore, there is an urgent need to develop new therapeutic options that are safer and more effective to combat MDR.

In the last two decades, new strategies in drug discovery have been implemented to combat infectious diseases. Despite these facts and the impressive advances in understanding the biology of these diseases, only a limited number of compounds are currently in clinical trials. Therefore, there is an urgent need to develop new therapeutic options that will help to combat MDR, increase effectiveness, decrease cost, and facilitate availability.

This research topic seeks manuscripts dealing with novel approaches in the discovery and development of drugs for infectious diseases. By considering both original research and review articles that could have an ever-increasing impact on the drug discovery pipeline, new trends could be discovered that would impact the field. Areas to be covered in this research topic may include but are not limited to the following:

  • Bioactive compounds;
  • Computer-aided drug design;
  • Synthesis and biological activity of small molecules;
  • Drug targets;
  • Drug repositioning.

Prof. Dr. Gildardo Rivera Sanchez
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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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

  • bacteria
  • drug design
  • drug repositioning
  • molecular docking
  • molecular dynamics
  • bioinformatics
  • synthesis
  • biomolecules
  • targets
  • in vitro assays
  • in vivo assays
  • small molecules
  • peptides
  • natural products
  • mechanism of action

Published Papers (1 paper)

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Research

18 pages, 2328 KiB  
Article
Structural Analysis and Activity Correlation of Amphiphilic Cyclic Antimicrobial Peptides Derived from the [W4R4] Scaffold
by Shaima A. El-Mowafi, Anastasia G. Konshina, Eman H. M. Mohammed, Nikolay A. Krylov, Roman G. Efremov and Keykavous Parang
Molecules 2023, 28(24), 8049; https://doi.org/10.3390/molecules28248049 - 12 Dec 2023
Viewed by 1195
Abstract
In our ongoing quest to design effective antimicrobial peptides (AMPs), this study aimed to elucidate the mechanisms governing cyclic amphiphilic AMPs and their interactions with membranes. The objective was to discern the nature of these interactions and understand how peptide sequence and structure [...] Read more.
In our ongoing quest to design effective antimicrobial peptides (AMPs), this study aimed to elucidate the mechanisms governing cyclic amphiphilic AMPs and their interactions with membranes. The objective was to discern the nature of these interactions and understand how peptide sequence and structure influence antimicrobial activity. We introduced modifications into the established cyclic AMP peptide, [W4R4], incorporating an extra aromatic hydrophobic residue (W), a positively charged residue (R), or the unique 2,5-diketopiperazine (DKP). This study systematically explored the structure–activity relationships (SARs) of a series of cyclic peptides derived from the [W4R4] scaffold, including the first synthesis and evaluation of [W4R4(DKP)]. Structural, dynamic, hydrophobic, and membrane-binding properties of four cyclic peptides ([W4R4], [W5R4], [W4R5], [W4R4(DKP)]) were explored using molecular dynamics simulations within a DOPC/DOPG lipid bilayer that mimics the bacterial membrane. The results revealed distinct SARs linking antimicrobial activity to parameters such as conformational plasticity, immersion depth in the bilayer, and population of the membrane binding mode. Notably, [W4R5] exhibited an optimal “activity/binding to the bacterial membrane” pattern. This multidisciplinary approach efficiently decoded finely regulated SAR profiles, laying a foundation for the rational design of novel antimicrobial peptides. Full article
(This article belongs to the Special Issue Advances in Antibacterial Molecules)
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