Nano-sized formazan analogues: Synthesis, structure elucidation, antimicrobial activity and docking study for COVID-19.
Bioorg Chem
; 105: 104354, 2020 12.
Article
in English
| MEDLINE | ID: covidwho-838154
ABSTRACT
Three series of nanosized-formazan analogues were synthesized from the reaction of dithiazone with various types of α-haloketones (ester and acetyl substituted hydrazonoyl chlorides and phenacyl bromides) in sodium ethoxide solution. The structure and the crystal size of the new synthesized derivatives were assured based on the spectral analyses, XRD and SEM data. The antibacterial and antifungal activities were evaluated by agar diffusion technique. The results showed mild to moderate antibacterial activities and moderate to potent antifungal activities. Significant antifungal activities were observed for four derivatives 3a, 3d, 5a and 5g on the pathogenic fungal strains; Aspergillus flavus and Candida albicans with inhibition zone ranging from 16 to 20 mm. Molecular docking simulations of the synthesized compounds into leucyl-tRNA synthetase editing domain of Candida albicans suggested that most formazan analogues can fit deeply forming stable complexes in the active site. Furthermore, we utilized the docking approach to examine the potential of these compounds to inhibit SARS-CoV-2 3CLpro. The results were very promising verifying these formazan analogues as a hopeful antiviral agents.
Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Nanostructures
/
Molecular Docking Simulation
/
Formazans
/
Coronavirus 3C Proteases
/
SARS-CoV-2
/
Anti-Infective Agents
Type of study:
Experimental Studies
Limits:
Humans
Language:
English
Journal:
Bioorg Chem
Year:
2020
Document Type:
Article
Affiliation country:
J.bioorg.2020.104354
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