Base Promoted Cascade Reaction: A Convenient Route to Hybrid S and N Polyheterocycles

Jayarajan, Ramasamy; Kottha, Thirumalaswamy; Sabarinathan, Subbaramanian; Vasuki, G.

doi:10.1002/slct.202003412

Cited by 9 publications

(8 citation statements)

References 57 publications

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“…These interactions include hydrogen bonds, polar and hydrophobic interactions, π-π and halogen. [48] Theoretical calculations were made to compare the chemical and biological activities of metal complexes. In the theoretical calculations made, it is necessary to examine the properties of molecules to be drugs.…”

Section: Docking Resultsmentioning

confidence: 99%

Synthesis, Characterization, Molecular Docking, Acetylcholinesterase and α‐Glycosidase Inhibition Profiles of Nitrogen‐Based Novel Heterocyclic Compounds

et al. 2022

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In this study, a series of nitrogen-based novel heterocyclic compounds were synthesized and characterized by elemental analysis, IR and NMR spectra. The novel synthesized nitrogenbased novel heterocyclic compounds were evaluated against the acetylcholinesterase (AChE) and α-glycosidase enzymes. These compounds showed IC 50 values in range of 0.76-28.04 μM against AChE as a cholinergic enzyme, and 26.10-82.17 μM against α-glycosidase as a hydrolytic enzyme. On the other hand, they demonstrated K i values between 1.25 � 0.22-25.36 � 4.72 μM against AChE, and 25.07 � 4.57-78.55 � 17.04 μM against α-glycosidase enzymes. The synthesized nitrogen-based novel heterocyclic compounds exhibited effective inhibition profiles against both indicated metabolic enzymes. These results may contribute to the development of new drugs particularly to treat some disorders, which widespread display in the world including Alzheimer's disease and diabetes. Furthermore, molecular docking calculations were made to compare the theoretical biological activities of nitrogen-based novel heterocyclic compounds against proteins including enzymes. After these calculations, ADME/T analysis was performed to examine the drug properties of nitrogenbased novel heterocyclic compounds.

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Section: Docking Resultsmentioning

confidence: 99%

Synthesis, Characterization, Molecular Docking, Acetylcholinesterase and α‐Glycosidase Inhibition Profiles of Nitrogen‐Based Novel Heterocyclic Compounds

et al. 2022

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“…[ 41,42 ] As these interactions increase, the biological activity of the molecule increases. These interactions include hydrogen bonds, polar and hydrophobic interactions, π–π interactions, and halogen interactions, [ 43–49 ] and they are presented in Figures 2–4.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, molecular docking, and biological activities of new cyanopyridine derivatives containing phenylurea

Gezegen

Gürdere

Dinçer

et al. 2020

Archiv der Pharmazie

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A new class of cyanopyridine derivatives (10a–e and 11a–e) containing the phenylurea unit was synthesized and tested against some metabolic enzymes including acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α‐glycosidase (α‐Gly). The new cyanopyridine derivatives showed Ki values in the range of 40.73 ± 6.54 to 87.05 ± 16.98 µM against AChE, 29.17 ± 4.88 to 124.03 ± 22.43 µM against BChE, and 3.66 ± 0.93 to 26.33 ± 5.05 µM against α‐Gly. These inhibition effects were compared with standard enzyme inhibitors like tacrine (for AChE and BChE) and acarbose (for α‐Gly). Also, these cyanopyridine derivatives with the best inhibition score were docked into the active site of the indicated metabolic enzymes. Finally, molecular docking calculations were made to compare the biological activities of the compounds against AChE (−8.81 kcal/mol for molecule 11d), BChE (−3.52 kcal/mol for molecule 11d), and α‐Gly (−2.98 kcal/mol for molecule 11a). After molecular docking calculations, the ADME/T analysis was performed to examine the future drug use properties of the new cyanopyridine derivatives containing phenylurea.

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“…These interactions include hydrogen bonds, polar and hydrophobic interactions, π–π, and halogen bonds. [ 33–40 ]…”

Section: Resultsmentioning

confidence: 99%

In vitro inhibitory effects of some acetophenone derivatives on some metabolic enzymes and molecular docking

Taslimi

2020

Archiv der Pharmazie

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Base Promoted Cascade Reaction: A Convenient Route to Hybrid S and N Polyheterocycles

Cited by 9 publications

References 57 publications

Synthesis, Characterization, Molecular Docking, Acetylcholinesterase and α‐Glycosidase Inhibition Profiles of Nitrogen‐Based Novel Heterocyclic Compounds

Synthesis, Characterization, Molecular Docking, Acetylcholinesterase and α‐Glycosidase Inhibition Profiles of Nitrogen‐Based Novel Heterocyclic Compounds

Synthesis, molecular docking, and biological activities of new cyanopyridine derivatives containing phenylurea

In vitro inhibitory effects of some acetophenone derivatives on some metabolic enzymes and molecular docking

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