Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

New Benzofuran-Pyrazole Based Compounds as Promising Antimicrobial Agents: Design, Synthesis, Antioxidant, Anti-inflammatory, DNA Gyrase B Inhibition and In Silico Studies

Somaia S. Abd El-Karima
,
Manal M. Anwara
,
Yasmin M. Syama
,
Hassan M. Awad
,
Asmaa Negm El-Dein
ORCID logo ,
Mohamed K. El-Ashrey
ORCID logo ,
Sameh Abdelwahed
* ORCID logo
Version 1 : Received: 25 August 2024 / Approved: 26 August 2024 / Online: 26 August 2024 (08:28:09 CEST)

How to cite: Abd El-Karima, S. S.; Anwara, M. M.; Syama, Y. M.; Awad, H. M.; El-Dein, A. N.; El-Ashrey, M. K.; Abdelwahed, S. New Benzofuran-Pyrazole Based Compounds as Promising Antimicrobial Agents: Design, Synthesis, Antioxidant, Anti-inflammatory, DNA Gyrase B Inhibition and In Silico Studies. Preprints 2024, 2024081792. https://doi.org/10.20944/preprints202408.1792.v1 Abd El-Karima, S. S.; Anwara, M. M.; Syama, Y. M.; Awad, H. M.; El-Dein, A. N.; El-Ashrey, M. K.; Abdelwahed, S. New Benzofuran-Pyrazole Based Compounds as Promising Antimicrobial Agents: Design, Synthesis, Antioxidant, Anti-inflammatory, DNA Gyrase B Inhibition and In Silico Studies. Preprints 2024, 2024081792. https://doi.org/10.20944/preprints202408.1792.v1

Abstract

The alarming rise of antibiotic resistance has made it imperative to find novel antimicrobial medications. This study reports the design and synthesis of new molecules based on benzofuran-pyrazole scaffolds hybridized with various N/O heterocycles using the molecular hybridization process. The newly synthesized candidates were confirmed using micro-analytical and spectral analyses, and their antimicrobial characteristics were assessed against different bacterial and fungal isolates in comparison with novobiocin and clotrimazole as antibacterial and antifungal standards, respectively. In addition, the new compounds were further evaluated as in vitro antioxidants and anti-inflammatory congeners. The most promising broad spectrum antimicrobial compounds 9, 10 with values ranging from 2.50-20.60 μg/mL were further examined as E. coli DNA gyrase B enzyme suppressors using novobiocin as a reference drug. In silico computational studies revealed that compound 9 produced a good fit in the active site of E. coli DNA gyrase B in comparison to novobiocin. Additionally, the drug similarity and ADMET parameters of compound 9 were examined in conjunction with the antibiotic ciprofloxacin, making it a potential candidate for further development as a promising antimicrobial agent.

Keywords

Benzofuran-pyrazole scaffold; antimicrobial activity; antioxidant; in vitro anti-inflammatory DNA gyrase enzyme; computational studies

Subject

Chemistry and Materials Science, Medicinal Chemistry

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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