Studies in instant water disinfection using natural oils

Dixit, Divya; Bhandari, Vinay M.; Mane, Maya B.; Balapure, Kshama

doi:10.1016/j.bej.2022.108631

Cited by 1 publication

(2 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Carvacrol and thymol can impede Salmonella enteritidis ( S. enteritidis ) growth by interfering in protein regulation and DNA synthesis [50] . Furthermore, both monoterpenoids have alluded being used as antibacterial agents in water disinfection due to their effective inhibitory effect against ( S. aureus ) and ( E. coli ) DNA gyrase [51] . Besides, carvacrol and thymol have been reported to inactivate microbial enzymes of ( S. aureus ) and ( E. coli ) resulting in cell membrane damage and the leakage of intracellular components [52] …”

Section: Resultsmentioning

confidence: 99%

“…[50] Furthermore, both monoterpenoids have alluded being used as antibacterial agents in water disinfection due to their effective inhibitory effect against (S. aureus) and (E. coli) DNA gyrase. [51] Besides, carvacrol and thymol have been reported to inactivate microbial enzymes of (S. aureus) and (E. coli) resulting in cell membrane damage and the leakage of intracellular components. [52] In order to scheme out the qualitative aspects of molecular docking studies, interaction details were elucidated in (Table 6) and profiles representing conformations of the ligands (thymol and carvacrol) and bacterial receptors active sites were generated.…”

Section: In Silico Evaluation Of the Antibacterial Properties Of Thym...mentioning

confidence: 99%

See 1 more Smart Citation

Combined in vitro/in silico approaches, molecular dynamics simulations and safety assessment of the multifunctional properties of thymol and carvacrol: A comparative insight

Akermi,

Smaoui,

Chaari

et al. 2024

Chemistry & Biodiversity

View full text Add to dashboard Cite

Bioactive compounds derived from medicinal plants have acquired immense attentiveness in drug discovery and development. The present study investigated in vitro and predicted in silico the antibacterial, antifungal, and antiviral properties of thymol and carvacrol, and assessed their safety. The performed microbiological assays against Pseudomonas aeruginosa, Escherichia coli, Salmonella enterica Typhimurium revealed that the minimal inhibitory concentration values ranged from (0.078 to 0.312 mg/mL) and the minimal fungicidal concentration against Candida albicans was 0.625 mg/mL. Molecular docking simulations, stipulated that these compounds could inhibit bacterial replication and transcription functions by targeting DNA and RNA polymerases receptors with docking scores varying between (‐5.1 to ‐6.9 kcal/mol). Studied hydroxylated monoterpenes could hinder C. albicans growth by impeding lanosterol 14α‐demethylase enzyme and showed a (ΔG = ‐6.2 and ‐6.3 kcal/mol). Computational studies revealed that thymol and carvacrol could target the SARS‐Cov‐2 spike protein of the Omicron variant RBD domain. Molecular dynamics simulations disclosed that these compounds have a stable dynamic behavior over 100 ns as compared to remdesivir. Chemo‐computational toxicity prediction using Protox II webserver indicated that thymol and carvacrol could be safely and effectively used as drug candidates to tackle bacterial, fungal, and viral infections as compared to chemical medication.

show abstract

Section: Resultsmentioning

confidence: 99%