Novel thiourea derivatives against <i>Mycobacterium tuberculosis:</i> synthesis, characterization and molecular docking studies

Kutlu, Emine; Emen, Fatih Mehmet; YILDIRIM, Kübra; Ataş, Cemilenur; Demirdöğen, Ruken Esra; Yeşilkaynak, Tuncay; Kınaytürk, Neslihan Kaya; Şimşek, Ece; Çoban, Ahmet Yılmaz

doi:10.1080/10426507.2023.2201503

Cited by 8 publications

(1 citation statement)

References 48 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Molecular docking analysis, a simulation technique, elucidates interactions between receptors (proteins, nucleic acids) and ligands (compounds) 66 . This computational approach generates scores that reflect potential energy changes upon the interaction between a protein and a ligand.…”

Section: Resultsmentioning

confidence: 99%

Exploring rose absolute and phenylethyl alcohol as novel quorum sensing inhibitors in Pseudomonas aeruginosa and Chromobacterium violaceum

Çevikbaş,

Ulusoy,

Kaya Kinaytürk

2024

Sci Rep

View full text Add to dashboard Cite

Inter-cellular signaling, referred to as quorum sensing (QS), regulates the production of virulence factors in numerous gram-negative bacteria, such as the human pathogens Pseudomonas aeruginosa and Chromobacterium violaceum. QS inhibition may provide an opportunity for the treatment of bacterial infections. This represents the initial study to examine the antibiofilm and antivirulence capabilities of rose absolute and its primary component, phenylethyl alcohol. QS inhibition was assessed by examining extracellular exopolysaccharide synthesis, biofilm development, and swarming motility in P. aeruginosa PAO1, along with violacein production in C. violaceum ATCC 12472. Molecular docking analysis was conducted to explore the mechanism by which PEA inhibits QS. Our results indicate that rose absolute and PEA caused decrease in EPS production (60.5–33.5%), swarming motility (94.7–64.5%), and biofilm formation (98.53–55.5%) in the human pathogen P. aeruginosa PAO1. Violacein production decreased by 98.1% and 62.5% with an absolute (0.5 v/v %) and PEA (2 mM). Moreover, the molecular docking analysis revealed a promising competitive interaction between PEA and AHLs. Consequently, this study offers valuable insights into the potential of rose absolute and PEA as inhibitors of QS in P. aeruginosa and C. violaceum.

show abstract

Section: Resultsmentioning

confidence: 99%

Exploring rose absolute and phenylethyl alcohol as novel quorum sensing inhibitors in Pseudomonas aeruginosa and Chromobacterium violaceum

Çevikbaş,

Ulusoy,

Kaya Kinaytürk

2024

Sci Rep

View full text Add to dashboard Cite

show abstract

Synthesis, structural characterization and bioactivities of iron(III) and copper(II) complexes containing Schiff base thiourea ligands of 5‐(tert‐butyl)‐2‐hydroxybenzaldehyde

Trung,

Nam,

Van Tuyen

2024

Vietnam Journal of Chemistry

View full text Add to dashboard Cite

Azomethine and thiourea groups possess potential bioactive functions in pharmacological substances so organic ligands containing both imine and thiourea groups and their metal complexes will be expected to have remarkable bioactivities. In this study, some iron(III) and copper(II) complexes containing Schiff base thiourea ligands derived from 1‐(2‐aminoethyl)‐3‐phenylthiourea or 1‐(2‐aminophenyl)‐3‐phenylthiourea and 5‐(tert‐butyl)‐2‐hydroxybenzaldehyde were synthesized and characterized by modern physicochemical analysis approaches such as mass, infrared, UV–vis spectra and effective magnetic moments. The analytical data have supported for the structures of iron(III) complexes in the molecular ratio of 1:2 of iron(III) and the relative ligand while copper(II) complexes in the ratio of 1:1. The synthetic ligands coordinated with iron(III) as NO bidentate mode, however they chelated with copper(II) as NNOS tetradentate possibly. The obtained iron(III) complexes possess high‐spin octahedral geometry when copper(II) complexes perform distorted square planar. The obtained metal complexes were investigated in their thermal stability and chemical components by the thermogravimetric analysis. The synthetic Schiff base thiourea ligands were examined for their antimicrobial activity. Additionally, the synthesized complexes were estimated for their in vitro anticancer property against human cancer cell lines, hepatic cancer cells (HepG‐2), and lung adenocarcinoma cells (A549).

show abstract

Quantum Chemical Calculations, Spectroscopic Properties, Molecular Docking and ADMET Studies of 2-(4-Tert-Butyl-2,6-Dimethyl-3-Hydroxybenzyl)-2-Imidazoline

Kalayci

2024

Braz J Phys

View full text Add to dashboard Cite

Novel thiourea derivatives against Mycobacterium tuberculosis: synthesis, characterization and molecular docking studies

Cited by 8 publications

References 48 publications

Exploring rose absolute and phenylethyl alcohol as novel quorum sensing inhibitors in Pseudomonas aeruginosa and Chromobacterium violaceum

Exploring rose absolute and phenylethyl alcohol as novel quorum sensing inhibitors in Pseudomonas aeruginosa and Chromobacterium violaceum

Synthesis, structural characterization and bioactivities of iron(III) and copper(II) complexes containing Schiff base thiourea ligands of 5‐(tert‐butyl)‐2‐hydroxybenzaldehyde

Quantum Chemical Calculations, Spectroscopic Properties, Molecular Docking and ADMET Studies of 2-(4-Tert-Butyl-2,6-Dimethyl-3-Hydroxybenzyl)-2-Imidazoline

Contact Info

Product

Resources

About