Article detail · 2022
Synthesis and inhibition profiles of N-benzyl- and N-allyl aniline derivatives against carbonic anhydrase and acetylcholinesterase – A molecular docking study
- Year
- 2022
- Type
- article
Data source split
- YÖKSİS YÖKSİS article record
- YÖKSİS venue Arabian Journal of Chemistry
- Catalog match (ISSN) Arabian Journal of Chemistry
- OpenAlex OpenAlex enrichment (abstract, citations, topics)
Abstract
OpenAlex · English
The alkyl and aryl derivatives of aniline are important starting materials in fine organic synthesis. Allyl bromide and benzyl chloride were taken as substrates for the alkylation reaction and as a halide ion scavenger. Triethylamine was utilized at reflux condition of N,N-dimethylacetamide (DMA). Novel synthesized N-benzyl and N-allyl aniline derivatives (1a-f) were evaluated to be highly potent inhibitors for acetylcholinesterase (AChE) and carbonic anhydrases (hCAs). The half maximal inhibitory concentration (IC50) of N-benzyl- and N-allyl aniline derivatives were calculated between 243.11 and 633.54 nM for hCA I, 296.32–518.37 nM for hCA II and 182.45–520.21 nM for AChE enzymes. On the other hand, Ki values are in the range of 149.24 ± 15.59 to 519.59 ± 102.27 nM for AChE, 202.12 ± 16.21 to 635.31 ± 45.33 nM for hCA I and 298.57 ± 94.13 to 511.18 ± 115.98 nM for hCA II isoenzyme. Additionally, in silico molecular docking computations were performed with Autodock Vina program to support the experimental in vitro studies for both hCAs and AChE inhibitors. The in silico molecular docking results demonstrated that the scores are in good agreement with the experimental results.
Topics
Citations
OpenAlex cited_by_count. Not a WoS or Scopus citation count; those sources have no separate column here.
153 citations
OpenAlex cited_by_count (cache / database)
152 publications in the local catalog that cite this work (OpenAlex reference match; not the full global list).
- Synthesis of Schiff Bases Containing Phenol Rings and Investigation of Their Antioxidant Capacity, Anticholinesterase, Butyrylcholinesterase, and Carbonic Anhydrase Inhibition Properties 2023
- Synthesis of Schiff Bases Containing Phenol Rings and Investigation of Their Antioxidant Capacity, Anticholinesterase, Butyrylcholinesterase, and Carbonic Anhydrase Inhibition Properties 2023
- Synthesis of Schiff Bases Containing Phenol Rings and Investigation of Their Antioxidant Capacity, Anticholinesterase, Butyrylcholinesterase, and Carbonic Anhydrase Inhibition Properties 2023
- Screening of Carbonic Anhydrase, Acetylcholinesterase, Butyrylcholinesterase, and α-Glycosidase Enzyme Inhibition Effects and Antioxidant Activity of Coumestrol 2022
- Screening of Carbonic Anhydrase, Acetylcholinesterase, Butyrylcholinesterase, and α-Glycosidase Enzyme Inhibition Effects and Antioxidant Activity of Coumestrol 2022
- Screening of Carbonic Anhydrase, Acetylcholinesterase, Butyrylcholinesterase, and α-Glycosidase Enzyme Inhibition Effects and Antioxidant Activity of Coumestrol 2022
- Screening of Carbonic Anhydrase, Acetylcholinesterase, Butyrylcholinesterase, and α-Glycosidase Enzyme Inhibition Effects and Antioxidant Activity of Coumestrol 2022
- Enzyme inhibition, molecular docking, and density functional theory studies of new thiosemicarbazones incorporating the 4‐hydroxy‐3,5‐dimethoxy benzaldehyde motif 2023
- Enzyme inhibition, molecular docking, and density functional theory studies of new thiosemicarbazones incorporating the 4‐hydroxy‐3,5‐dimethoxy benzaldehyde motif 2023
- Enzyme inhibition, molecular docking, and density functional theory studies of new thiosemicarbazones incorporating the 4‐hydroxy‐3,5‐dimethoxy benzaldehyde motif 2023