ISIS Neutron and Muon Source Data Journal

Crystalline Cu(II)-AZM complex and its co-amorphous system: New antibiotic-based compound

Abstract: Azithromycin (C38H72N2O12, AZM) is a half-synthetic macrolide synthetically obtained from the A erythromycin. It is the first member of a new family of antibiotics known as azalydes, showing some advantages other antibiotics due to its capacity of tissue penetration and higher stability in acidic media. To enhance the effect of the drug and expand the possibilities of application, complexes and solids dispersions involving transition metals or organic molecules have been synthesized over the last few years. In this context, two AZM compounds were synthesized, one in the crystalline form with hydrated copper (II) and the other in the amorphous form with copper (II) and tromethamine. Even if their structural, thermal, and vibrational properties have been characterized and analyzed, a complete description of the location of the water molecules in these systems s still missing. This is however essential to resolve open questions about the molecular packing, solubility, and bioavailability of the drug. Therefore, we propose to use TOSCA to investigate the intermediate intermolecular contacts by H2O molecules in the hydrated and amorphous system, and how they differ from each other.

Principal Investigator: Professor Francisco Sousa
Experimenter: Dr Jose Enedilton Medeiros Pereira
Experimenter: Professor Heloisa Nunes Bordallo
Experimenter: Dr João Oliveira Neto
Local Contact: Dr Svemir Rudic
Experimenter: Mr Lukas Machuca-Beier
Experimenter: Dr Fabio Formiga
Experimenter: Dr Douglas Dourado
Experimenter: Mr Charalampos Tsekeridis

DOI: 10.5286/ISIS.E.RB2510274

ISIS Experiment Number: RB2510274

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Francisco Sousa et al; (2025): Crystalline Cu(II)-AZM complex and its co-amorphous system: New antibiotic-based compound, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2510274

Data is released under the CC-BY-4.0 license.