The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase
There is a constant necessity of finding new, reliable antimicrobials, due to the rapid emergence of antibiotic resistant bacteria. This paper tries to address this issue, as the possibility of formation of Pd(II) and Pt(II) coordination compounds of avibactam and their properties were investigated....
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-12-01
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| Series: | European Journal of Medicinal Chemistry Reports |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772417423000183 |
| _version_ | 1797405289316614144 |
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| author | Jakub Brzeski Paulina Nowicka Sergey A. Samsonov |
| author_facet | Jakub Brzeski Paulina Nowicka Sergey A. Samsonov |
| author_sort | Jakub Brzeski |
| collection | DOAJ |
| description | There is a constant necessity of finding new, reliable antimicrobials, due to the rapid emergence of antibiotic resistant bacteria. This paper tries to address this issue, as the possibility of formation of Pd(II) and Pt(II) coordination compounds of avibactam and their properties were investigated. Moreover, the effect of complexation on interactions with OXA-48 β-lactamase was thoroughly examined with computational approaches. It was found that the formation of Pd(II) and Pt(II) complexes of avibactam is thermodynamically favorable. Furthermore, it was observed that the binding energies of Pd(Avi)2 to OXA-48 approach that of Avibactam, whereas that of Pt(Avi)2 are somewhat less favorable. As such, they may be considered as new potential non-β-lactam β-lactamase inhibitors. |
| first_indexed | 2024-03-09T03:07:41Z |
| format | Article |
| id | doaj.art-17954c3b5a104bac96b2fffa65b216e6 |
| institution | Directory Open Access Journal |
| issn | 2772-4174 |
| language | English |
| last_indexed | 2024-03-09T03:07:41Z |
| publishDate | 2023-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | European Journal of Medicinal Chemistry Reports |
| spelling | doaj.art-17954c3b5a104bac96b2fffa65b216e62023-12-04T05:25:09ZengElsevierEuropean Journal of Medicinal Chemistry Reports2772-41742023-12-019100118The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamaseJakub Brzeski0Paulina Nowicka1Sergey A. Samsonov2Corresponding author.; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, PolandFaculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, PolandFaculty of Chemistry, University of Gdańsk, Wita Stwosza 63, 80-308 Gdańsk, PolandThere is a constant necessity of finding new, reliable antimicrobials, due to the rapid emergence of antibiotic resistant bacteria. This paper tries to address this issue, as the possibility of formation of Pd(II) and Pt(II) coordination compounds of avibactam and their properties were investigated. Moreover, the effect of complexation on interactions with OXA-48 β-lactamase was thoroughly examined with computational approaches. It was found that the formation of Pd(II) and Pt(II) complexes of avibactam is thermodynamically favorable. Furthermore, it was observed that the binding energies of Pd(Avi)2 to OXA-48 approach that of Avibactam, whereas that of Pt(Avi)2 are somewhat less favorable. As such, they may be considered as new potential non-β-lactam β-lactamase inhibitors.http://www.sciencedirect.com/science/article/pii/S2772417423000183AvibactamPalladium complexPlatinum complexMolecular dynamics |
| spellingShingle | Jakub Brzeski Paulina Nowicka Sergey A. Samsonov The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase European Journal of Medicinal Chemistry Reports Avibactam Palladium complex Platinum complex Molecular dynamics |
| title | The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase |
| title_full | The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase |
| title_fullStr | The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase |
| title_full_unstemmed | The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase |
| title_short | The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase |
| title_sort | effect of pd ii and pt ii coordination on the affinity of avibactam to oxa 48 β lactamase |
| topic | Avibactam Palladium complex Platinum complex Molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S2772417423000183 |
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