Synthesis of 1,2,3-triazole-linked silanes and exploration of their anti-bacterial potential via in-silico and in-vitro approach DOI
Gurjaspreet Singh, Yamini Thakur,

Swati Devi

et al.

Inorganica Chimica Acta, Journal Year: 2024, Volume and Issue: 577, P. 122490 - 122490

Published: Dec. 9, 2024

Language: Английский

DHA-Indole-Triazole Hybrids: Click Mediated Synthesis, Antimicrobial, Antibiofilm and In Silico Studies DOI

Anshul Grover,

Aman Kumar, Priya Kumari

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141953 - 141953

Published: March 1, 2025

Language: Английский

Citations

1
Synthesis, characterization, and computational evaluation of some synthesized xanthone derivatives: focus on kinase target network and biomedical properties DOI Creative Commons

Wisam Taher Muslim,

Layth Jasim Mohammed,

M. Naji

et al.

Frontiers in Pharmacology, Journal Year: 2025, Volume and Issue: 15

Published: Jan. 3, 2025

Xanthones are dubbed as putative lead-like molecules for cancer drug design and discovery. This study was aimed at the synthesis, characterization, in silico target fishing of novel xanthone derivatives. The products reactions xanthydrol with urea, thiourea, thiosemicarbazide reacted α-haloketones to prepare thiazolone compounds. Xanthydrol sequentially ethyl chloroacetate, hydrazine, carbon disulfide, dithiolane. propargyl bromide it submitted click reaction azide triazole ring. Finally, four xanthones derivatives including (E)-2-(2-(9H-xanthen-9-yl)hydrazono)-1,3-dithiolan-4-one (L3), 2-(2-(9H-xanthen-9-yl)hydrazinyl)thiazol-5(4H)-one (L5), 2-(9H-xanthen-9-ylamino)thiazol-5(4H)-one (L7), 4-((9H-xanthen-9-yloxy)methyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole (L9) were synthesized characterized using thin layer chromatography, Fourier-transform infrared spectroscopy, nuclear magnetic resonance (1H 13C). ADMET, Pfizer filter, adverse reaction, toxicity, antitarget interaction profiles, fishing, kinase screening, molecular docking validation, protein gene network analysis computed Ligands obeyed filter drug-likeness, while all ligands categorized toxic chemicals. Major targets predicted be kinases Haspin, WEE2, PIM3. Mitogen-activated 1 hub All show hepatotoxic potentials, L7 presented cardiac toxicity. Acute leukemic T-cells one top tumor cell lines these ligands. possible antileukemic effects potentially very interesting warrant further studies.

Language: Английский

Citations

0
Synthesis, anti-fungal activities and in silico studies of triazole/benzimidazole hybrid molecules DOI

Ganesh Babu N. V. N. Kolukula,

P. Vijaya Babu,

Korripally Premsagar

et al.

Synthetic Communications, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 10

Published: April 15, 2025

Language: Английский

Citations

0
Synthesis of thiazolidinone-triazole hybrid compounds as anticancer agents and molecular modeling study DOI

Ahmad Fawzi Qarah,

Khadra B. Alomari,

Renad Almughathawi

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142570 - 142570

Published: May 1, 2025

Language: Английский

Citations

0
Indole-Benzothiazole-1,2,3-Triazole Hybrids: Synthesis, Characterization, antimicrobial evaluation and Multi-Faceted Computational Analysis DOI
Aamir R. Shama,

Mehulkumar L. Savaliya

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142214 - 142214

Published: March 1, 2025

Language: Английский

Citations

0
Recent advancements in the multifaceted biomedical efficacy of triazole based metal complexes DOI
Aman Kumar,

Seema Devi,

Sanjeev Kumar

et al.

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 536, P. 216675 - 216675

Published: April 10, 2025

Language: Английский

Citations

0
Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Coumarin–Triazole–Isatin Hybrids as Selective Butyrylcholinesterase Inhibitors DOI Creative Commons
Aleksandar Dimkovski, Vladimir Dobričić, Milena Simić

et al.

Molecules, Journal Year: 2025, Volume and Issue: 30(10), P. 2121 - 2121

Published: May 11, 2025

A series of 21 novel coumarin–triazole–isatin hybrids was synthesized and evaluated for their potential as multitarget agents in Alzheimer’s disease (AD). The compounds featured variations alkyl linker length that connects coumarin triazole substitution at the 5-position isatin ring. Several derivatives showed potent butyrylcholinesterase (BChE) inhibition with selectivity over acetylcholinesterase (AChE). lead compound, 6c1, exhibited strong BChE (IC50 = 1.74 μM), surpassing donepezil. Enzyme kinetics revealed a mixed-type mechanism, while molecular docking studies confirmed dual binding catalytic peripheral sites. Structure–activity relationship (SAR) analysis highlighted influence flexibility steric/electronic effects substituents. observed selectivity, combined favorable vitro profiles, identifies these promising leads AD drug development.

Language: Английский

Citations

0
Synthesis of 1,2,3-triazole-linked silanes and exploration of their anti-bacterial potential via in-silico and in-vitro approach DOI
Gurjaspreet Singh, Yamini Thakur,

Swati Devi

et al.

Inorganica Chimica Acta, Journal Year: 2024, Volume and Issue: 577, P. 122490 - 122490

Published: Dec. 9, 2024

Language: Английский

Citations

0