Novel triazole-nucleoside hybrids as potential antimicrobial agents: Design, synthesis, and molecular docking

•A new set of nucleoside-triazole hybrids was created to provide a more effective topoisomerase II for microbial therapy.•All freshly synthesized compounds' structures were confirmed using spectrum data and elemental analysis.•The newly synthesized compounds were docked to the area of topoisome...

Full description

Saved in:

Bibliographic Details
Published in:	Journal of molecular structure Vol. 1321; p. 140207
Main Authors:	Salem, Mostafa E., Radwan, Ibrahim Taha, Zaki, Magdi E.A., Alqahtani, Arwa sultan, Selim, Abdelfattah, Alruhaili, Mohammed H., Gattan, Hattan S., Abdel-Megid, Mohamed, Bagato, Noha, Elwahy, Ahmed H.M., Khalil, Nisrin A.
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 05-02-2025
Subjects:	Antibiofilm susceptibility Antimicrobial activity Molecular docking Nucleoside-triazole hybrids Synthesis Antibiofilm susceptibility Antimicrobial activity Nucleoside-triazole hybrids Synthesis Molecular docking
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!

Description
Summary:	•A new set of nucleoside-triazole hybrids was created to provide a more effective topoisomerase II for microbial therapy.•All freshly synthesized compounds' structures were confirmed using spectrum data and elemental analysis.•The newly synthesized compounds were docked to the area of topoisomerase II's active site.•Most synthetic compounds inhibit all tested bacteria.•A transmission electron microscope (TEM) was utilized to assess morphological changes on the bacterial surface following treatment with the novel nucleoside 15. Despite decoding many important genes in the formation of microbes, particularly pathogenic and mutant ones that lead to resistance to a wide range of antibiotics, this opens the door to discovering new antimicrobial compounds, whether synthetic or natural in origin. A new set of nucleoside-triazole hybrids was created to provide a more effective topoisomerase II for microbial therapy. All freshly synthesized compounds' structures were confirmed using spectral data and elemental analysis. The newly synthesized compounds were docked to the area of topoisomerase II's active site; compounds 3, 7, 15, 18, and 19 exhibited distinct hydrogen bonding formation and pi-pi interactions. The results of testing every compound against six different microbial strains were expressed as the width of the inhibitory zone. Except for Aspergillus Niger, most of the synthetic compounds inhibit all bacteria. Compounds 15 and 19 had the lowest MIC values (1.95, 3.9 µg/mL against B. subtills and 1.95, 3.9 µg/mL against S. aureus). Nucleoside 15 had MBC values between 3.9 and B. subtills. The in-vitro topoisomerase II enzyme assay revealed that compounds 3, 15, 18, and 19 had IC50 values of 0.17, 0.05, 0.13, and 0.08 µmol/mL, respectively. A transmission electron microscope (TEM) was utilized to assess morphological changes on the bacterial surface following treatment with nucleoside 15. It was discovered that nucleoside 15 induced substantial cell wall weakening, which exacerbated cell membrane rupture. [Display omitted]
ISSN:	0022-2860
DOI:	10.1016/j.molstruc.2024.140207