Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140198 - 140198
Published: Sept. 1, 2024
Language: Английский
Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141594 - 141594
Published: Jan. 1, 2025
Citations
0
Medicinal Research Reviews, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 6, 2025
ABSTRACT Antitubercular drug discovery progress in the last decade, especially research on biological function, target inhibition and diagnosis of tuberculosis (TB) has considerably advanced. The application target‐based techniques have become a more powerful tool for medicinal chemists developing new therapeutic strategies, such as its identification/validation targets, leads, candidates with optimized efficacy. This been further evidenced by recent approval delamanid bedaquiline treatment MDR‐TB XDR‐TB, respectively. While TB pipeline shown great development, high attrition rates must constantly replenish high‐quality leads acting through targets. review provides critical analysis approaches used to advance hit compounds into viable lead well possible influence targets development near future. Finally, we concluded present challenges that are faced development.
Language: Английский
Citations
0
Heliyon, Journal Year: 2025, Volume and Issue: 11(4), P. e42674 - e42674
Published: Feb. 1, 2025
Tuberculosis (TB) continues to be one of the deadliest infectious diseases with a rapid increase in multidrug-resistant cases. The discovery new agents against tuberculosis is urgently needed. Thus, research article focuses on antituberculosis activity series benzimidazolium compounds. activities compounds including benzimidazole core (7a-h) Mycobacterium H37Rv strain were tested vitro using BACTEC MGIT 960 system. concentrations adjusted range from 0.25 4 μg/ml. interactions investigated by molecular docking and dynamics simulation. results revealed that only salt 7h showed at MIC value 2 μg/ml although other no activity. data could bind InhA thus indicating its inhibition potential enzyme. Molecular simulation exhibited formed stable complex enzyme was able remain inside binding region Besides, pharmacokinetic drug-likeness properties assessed through computational approaches. drug-like properties. Consequently, good candidate for development TB drugs.
Language: Английский
Citations
0
Journal of Biochemical and Molecular Toxicology, Journal Year: 2025, Volume and Issue: 39(3)
Published: March 1, 2025
ABSTRACT Herein, the synthesis, anticancer activity and apoptotic pathways of 1,2,3‐triazolopyridazinones compounds, which are similar to DNA bases not previously found in literature have been investigated. To achieve this goal, it is designed hybrid molecules combining triazole pyridazinone/pyridazithione structures, bearing a lipophilic group (benzyl/phenyl) at one position benzene with electron withdrawing or donating groups five positions, high pharmacophoric properties on same scaffold structure. The representative compounds series 5a, 5c, 6a 8c exhibited higher than other cisplatin control against breast (MCF‐7) lung (A549) cell lines. These were less toxic when tested noncancerous L929 line. In addition, effect mechanisms these confirmed by AO/EB staining caspase 3 results. findings indicate that some derivatives could be effective therapeutic agents for treatment cancer disease an apoptosis‐promoting.
Language: Английский
Citations
0
Clinical and Experimental Health Sciences, Journal Year: 2025, Volume and Issue: 15(1), P. 170 - 174
Published: March 23, 2025
Objective: In this study it was aimed to synthesize novel 1,3,4-thiadizole bearing 4(3H)-quinazolinone compounds, elucidate their structure and evaluate anti-biofilm activity. Methods: Four compounds (1-4) were synthesized with a two step reaction starting from 5-bromoanthranilic acid. Their activity investigated. Results: The final compounds’ structures clarified by elemental analysis spectroscopic methods (IR, 1H-NMR, 13C-NMR MS). the result of studies, they possessed 26.0-30.0% biofilm formation inhibition. Conclusion: Among tested 6-bromo-3-{4-[5-(4-nitrophenylamino)-1,3,4-thiadiazol-2-yl]phenyl}-2-methylquinazolin-4(3H)-one formulated compound 3 found as most active one 30.0%
Language: Английский
Citations
0
Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140072 - 140072
Published: Sept. 1, 2024
Language: Английский
Citations
3
Chemistry & Biodiversity, Journal Year: 2024, Volume and Issue: 21(12)
Published: Aug. 21, 2024
Abstract A library of 1,5‐Naphthyridin‐2(1H)‐one based 1,2,3‐triazole analogues ( 11a–q ) were synthesized via series reactions such as protection, oxidation, cyclization and click chemistry. The new molecules tested for their antitubercular activity against M. tuberculosis mc 2 6230 determined the minimum inhibitory concentration (MIC) employing Rifampicin reference. 3‐cyano 4‐cyano substituted 11e 11f displayed superior with an MIC value 4.0 μg/ml. Additionally, these potent determination MBC values ATP depletion assay showed a hopeful relative luminescence. multi‐drug resistant strains viz. 8243, 8247 8259. cytotoxicity two presented no effects on normal cell. profound results proved them potential agent. Further, molecular docking studies portrayed crystal structure dihydrofolate reductase which garnered promising scores binding interactions H‐bond hydrophobic. ADME prediction revealed favorable drug‐likeness characteristics.
Language: Английский
Citations
2
Journal of Chromatography B, Journal Year: 2024, Volume and Issue: 1248, P. 124353 - 124353
Published: Nov. 1, 2024
Language: Английский
Citations
2
Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140198 - 140198
Published: Sept. 1, 2024
Language: Английский
Citations
0