Synthesis, Cytotoxic Activity, Antiquorum Sensing Effect, Docking and Md Simulation of Novel 1,3‐Disubstituted 2‐Mercapto‐1H‐Benzo[D]Imidazolium Chlorides DOI Creative Commons
Mohammad Mavvaji, Muhammed Tılahun Muhammed, Ebru Önem

et al.

Journal of Biochemical and Molecular Toxicology, Journal Year: 2025, Volume and Issue: 39(4)

Published: April 1, 2025

ABSTRACT A series of benzimidazolium chlorides ( 2a‐c ) and their corresponding 2‐mercapto derivatives 3a‐c were proficiently synthesized analyzed by NMR LC‐MS spectra. The in vitro cytotoxic assay demonstrated that some compounds active on the cancer cell lines. binding potential most three to topoisomerase II alpha (topo2α) was explored unveil possible mode action for activity. examined through molecular docking. stability compound‐enzyme complexes from docking investigated dynamics (MD) simulation. study revealed showed ability bind enzyme. However, strength weaker than standard drug, doxorubicin. MD simulation analysis 3a 3b gave relatively stable with enzyme thus they would remain inside pocket during period. Furthermore, pharmacokinetic properties computed silico . computation disclosed all exhibited drug‐like properties. It is worth mentioning them found be nontoxic. In furtherance, inhibitory effect quorum sensing system inspected using biomonitor strains Chromobacterium violaceum 026, Chromobacterium. VIR07 Pseudomonas aeruginosa PAO1. this regard, we focused appraisal virulence factors, including pyocyanin, elastase, biofilm formation are created P. PAO1 as source infectious diseases. As a result, it determined displayed statistically significant inhibition effects, highest activity observed elastase production an rate 84–86%.

Language: Английский

Synthesis, Molecular Docking, and Antiproliferative Activity Studies of Bromine Bearing Schiff Bases DOI
Halis Karataş, Burçin Türkmenoğlu, Zülbiye Kökbudak

et al.

Biochemical and Biophysical Research Communications, Journal Year: 2025, Volume and Issue: unknown, P. 151739 - 151739

Published: April 1, 2025

Language: Английский

Citations

0
Synthesis, Cytotoxic Activity, Antiquorum Sensing Effect, Docking and Md Simulation of Novel 1,3‐Disubstituted 2‐Mercapto‐1H‐Benzo[D]Imidazolium Chlorides DOI Creative Commons
Mohammad Mavvaji, Muhammed Tılahun Muhammed, Ebru Önem

et al.

Journal of Biochemical and Molecular Toxicology, Journal Year: 2025, Volume and Issue: 39(4)

Published: April 1, 2025

ABSTRACT A series of benzimidazolium chlorides ( 2a‐c ) and their corresponding 2‐mercapto derivatives 3a‐c were proficiently synthesized analyzed by NMR LC‐MS spectra. The in vitro cytotoxic assay demonstrated that some compounds active on the cancer cell lines. binding potential most three to topoisomerase II alpha (topo2α) was explored unveil possible mode action for activity. examined through molecular docking. stability compound‐enzyme complexes from docking investigated dynamics (MD) simulation. study revealed showed ability bind enzyme. However, strength weaker than standard drug, doxorubicin. MD simulation analysis 3a 3b gave relatively stable with enzyme thus they would remain inside pocket during period. Furthermore, pharmacokinetic properties computed silico . computation disclosed all exhibited drug‐like properties. It is worth mentioning them found be nontoxic. In furtherance, inhibitory effect quorum sensing system inspected using biomonitor strains Chromobacterium violaceum 026, Chromobacterium. VIR07 Pseudomonas aeruginosa PAO1. this regard, we focused appraisal virulence factors, including pyocyanin, elastase, biofilm formation are created P. PAO1 as source infectious diseases. As a result, it determined displayed statistically significant inhibition effects, highest activity observed elastase production an rate 84–86%.

Language: Английский

Citations

0