N-heterocyclic carbene based Bi-nuclear organoselenium compounds impart a mild biocidal potential compared to their ligands : Synthesis, characterization, computational studies
Copyright © 2023 Elsevier Ltd. All rights reserved..
N-heterocyclic carbene (NHC) based compounds are remarkably known for astonishing biological potentials. Coordination of metal center with these compounds can substantially improve the biological potential for better efficacy. In this context, three binuclear azolium salts (L1-L3) and subsequent selenium adducts L1Se-L3Se were synthesized and assured through analytical techniques. Synthesized compounds were also simulated through computational approach and results were compared with experimental observations that also relatable with biological potentials. Synthesized compounds were screened against bacterial strains and interestingly, the studied compounds showed good antimicrobial potential with MIC values of 7.01, 10.7 and 10.5 µM for S. Aureus (gram positive bacteria) while 12.5, 11.75 and 14.5 µM against E. Coli (gram negative bacteria). The studied compounds showed good antioxidant activity to scavenge DPPH free radicals among which azolium salts were found better in antioxidant potential (IC50 5.75-6.55 µg/mL) than their respective selenium compounds (IC50 9.50-12.75 µg/mL). The hemolytic assay against red blood cells showed that ligands are least toxic comparative to their Se-adducts and can be further trialed for In Vivo studies.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2023 |
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| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:107 |
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| Enthalten in: |
Computational biology and chemistry - 107(2023) vom: 28. Dez., Seite 107963 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Hassan, Ahmad [VerfasserIn] |
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| Links: |
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| Themen: |
2465-56-7 |
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| Anmerkungen: |
Date Completed 27.11.2023 Date Revised 27.11.2023 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1016/j.compbiolchem.2023.107963 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM362727392 |
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| 245 | 1 | 0 | |a N-heterocyclic carbene based Bi-nuclear organoselenium compounds impart a mild biocidal potential compared to their ligands |b Synthesis, characterization, computational studies |
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| 500 | |a Date Revised 27.11.2023 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Copyright © 2023 Elsevier Ltd. All rights reserved. | ||
| 520 | |a N-heterocyclic carbene (NHC) based compounds are remarkably known for astonishing biological potentials. Coordination of metal center with these compounds can substantially improve the biological potential for better efficacy. In this context, three binuclear azolium salts (L1-L3) and subsequent selenium adducts L1Se-L3Se were synthesized and assured through analytical techniques. Synthesized compounds were also simulated through computational approach and results were compared with experimental observations that also relatable with biological potentials. Synthesized compounds were screened against bacterial strains and interestingly, the studied compounds showed good antimicrobial potential with MIC values of 7.01, 10.7 and 10.5 µM for S. Aureus (gram positive bacteria) while 12.5, 11.75 and 14.5 µM against E. Coli (gram negative bacteria). The studied compounds showed good antioxidant activity to scavenge DPPH free radicals among which azolium salts were found better in antioxidant potential (IC50 5.75-6.55 µg/mL) than their respective selenium compounds (IC50 9.50-12.75 µg/mL). The hemolytic assay against red blood cells showed that ligands are least toxic comparative to their Se-adducts and can be further trialed for In Vivo studies | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Antibacterial agents | |
| 650 | 4 | |a Antioxidant | |
| 650 | 4 | |a Biofilm inhibition | |
| 650 | 4 | |a N-heterocyclic carbene | |
| 650 | 4 | |a Selenium adducts | |
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| 650 | 7 | |a Heterocyclic Compounds |2 NLM | |
| 700 | 1 | |a Iqbal, Muhammad Adnan |e verfasserin |4 aut | |
| 700 | 1 | |a Bhatti, Haq Nawaz |e verfasserin |4 aut | |
| 700 | 1 | |a Shahid, Muhammad |e verfasserin |4 aut | |
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