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Novel Bioactive Macrolides: Design, Preparation, Properties
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Novel Bioactive Macrolides: Design, Preparation, Properties

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (31 October 2021) | Viewed by 5125

Special Issue Editors

Prof. Dr. Predrag Novak

E-Mail Website
Guest Editor
Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, HR-10000 Zagreb, Croatia
Interests: macrolide antibiotics; drug design; biomolecular interactions; structural analysis; hydrogen bonds; hyphenated analytical systems
Prof. Dr. Tomislav Jednačak

E-Mail Website
Guest Editor
Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, HR-10000 Zagreb, Croatia
Interests: macrolide antibiotics; biomolecules; organic synthesis; ligand–receptor interactions; analysis of complex mixtures; reaction monitoring; polymorph identification

Special Issue Information

Dear Colleagues,

Macrolide antibiotics belong to a class of macrolide molecules consisting of a central 12–16-membered macrolactone ring and one or more sugar units attached to it. The main representatives include erythromycin, azithromycin, clarithromycin and telithromycin. They have widely been prescribed for the treatment of upper and lower respiratory tract infections owing to their high efficacy and safety. Macrolides bind to the ribosomal 23S rRNA at or near the peptidyl transferase center and block the exit of the nascent peptide. Although the crystal structures of some ribosome–macrolide complexes have been solved recently, which threw new light on the binding mechanisms of macrolides to ribosomes and served as a platform for drug design, there are still no new macrolide antibiotics on the market.

On the other hand, emerging multi-drug-resistant microbial pathogens demand the discovery of novel and more effective antimicrobial agents. Despite the modern tools and approaches that have been developed lately in medicine, biology and chemistry, rising microbial resistance still poses serious challenges and risks to human health. The World Health Organization has recognized the treat and considers it to be the most urgent issue to deal with. Therefore, there is a great demand for the discovery of novel, more potent and safer macrolides that are active against resistant pathogenic bacteria.

This Special Issue will cover recent developments in the field of the discovery and applications of new bioactive macrolides. It is aimed at giving insights into the design and strategies used to synthesize new materials with improved bioactivities and overall biological profile. Structural characterization, evaluation of physico-chemical properties, interactions with biological receptors and establishing structure-property relationships will also be considered in this issue.

Prof. Dr. Predrag Novak
Prof. Dr. Tomislav Jednačak
Guest Editors

Manuscript Submission Information

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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. Materials 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 2600 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

  • macrolides
  • drug design
  • structure
  • interactions
  • synthesis
  • bioactivity

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Published Papers (2 papers)

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Research

17 pages, 4053 KiB  
Article
Selected Derivatives of Erythromycin B-In Silico and Anti-Malarial Studies
by Pranab K. Bhadra, Rachael N. Magwaza, Niroshini Nirmalan, Sally Freeman, Jill Barber and Biljana Arsic
Materials 2021, 14(22), 6980; https://doi.org/10.3390/ma14226980 - 18 Nov 2021
Cited by 1 | Viewed by 2041
Abstract
Erythromycin A is an established anti-bacterial agent against Gram-positive bacteria, but it is unstable to acid. This led to an evaluation of erythromycin B and its derivatives because these have improved acid stability. These compounds were investigated for their anti-malarial activities, by their [...] Read more.
Erythromycin A is an established anti-bacterial agent against Gram-positive bacteria, but it is unstable to acid. This led to an evaluation of erythromycin B and its derivatives because these have improved acid stability. These compounds were investigated for their anti-malarial activities, by their in silico molecular docking into segments of the exit tunnel of the apicoplast ribosome from Plasmodium falciparum. This is believed to be the target of the erythromycin A derivative, azithromycin, which has mild anti-malarial activity. The erythromycin B derivatives were evaluated on the multi-drug (chloroquine, pyrimethamine, and sulfadoxine)-resistant strain K1 of P. falciparum for asexual growth inhibition on asynchronous culture. The erythromycin B derivatives were identified as active in vitro inhibitors of asexual growth of P. falciparum with low micro-molar IC50 values after a 72 h cycle. 5-Desosaminyl erythronolide B ethyl succinate showed low IC50 of 68.6 µM, d-erythromycin B 86.8 µM, and erythromycin B 9-oxime 146.0 µM on the multi-drug-resistant K1 of P. falciparum. Based on the molecular docking, it seems that a small number of favourable interactions or the presence of unfavourable interactions of investigated derivatives of erythromycin B with in silico constructed segment from the exit tunnel from the apicoplast of P. falciparum is the reason for their weak in vitro anti-malarial activities. Full article
(This article belongs to the Special Issue Novel Bioactive Macrolides: Design, Preparation, Properties)
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10 pages, 3999 KiB  
Article
Interactions of Aminopropyl–Azithromycin Derivatives, Precursors in the Synthesis of Bioactive Macrozones, with E. coli Ribosome: NMR and Docking Studies
by Ivana Mikulandra, Tomislav Jednačak, Branimir Bertoša, Jelena Parlov Vuković, Iva Kušec and Predrag Novak
Materials 2021, 14(19), 5561; https://doi.org/10.3390/ma14195561 - 25 Sep 2021
Cited by 3 | Viewed by 2020
Abstract
The structure and interactions of several aminopropyl–azithromycin derivatives (1a–c) have been studied by using NMR spectroscopy and docking calculations. Compounds 1a–c are precursors in the synthesis of macrozones, novel bioactive azithromycin–thiosemicarbazone conjugates active against some resistant bacterial [...] Read more.
The structure and interactions of several aminopropyl–azithromycin derivatives (1a–c) have been studied by using NMR spectroscopy and docking calculations. Compounds 1a–c are precursors in the synthesis of macrozones, novel bioactive azithromycin–thiosemicarbazone conjugates active against some resistant bacterial strains. Today, bacterial resistance is considered as one of the major threats to human health. Knowledge on drug binding mode and conformations is one of the key factors in the process of designing molecules to fight resistance. In solution state, compounds 1a and 1c exist in the 3-endo-folded-out conformation, while 1b adopts a classical folded-out conformation. 13C and 15N CPMAS NMR spectra pointed towards similar structures in the solid state. The transferred NOESY NMR spectra confirmed binding to the E. coli ribosome and suggest that dominant conformations in the bound state resemble those in the free one. STD experiments identified reactive groups of 1a–c in close contact with the ribosome resembling binding epitopes observed for the related 15-membered macrolides. Docking studies revealed that the studied compounds bind to the same ribosome binding pocket similarly to erythromycin in the crystal state, and that the binding is achieved through H-bonds and van der Waals interactions. The bound conformation is the same as determined by NMR. STD enhancements observed for methylene protons in the aminopropyl side chain indicate additional interactions which contribute to the overall binding energy. Full article
(This article belongs to the Special Issue Novel Bioactive Macrolides: Design, Preparation, Properties)
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