New Sulfonate Ester‐Linked Fluorinated Hydrazone Derivatives as Multitarget Carbonic Anhydrase and Cholinesterase Inhibitors: Design, Synthesis, Biological Evaluation, Molecular Docking and ADME Analysis DOI Creative Commons

Berna Akış,

Reşit Çakmak, Murat Şentürk

и другие.

Chemistry & Biodiversity, Год журнала: 2024, Номер 21(12)

Опубликована: Авг. 19, 2024

Abstract In this study, some new hydrazone derivatives ( 2a – g ) was designed, synthesized for first time, and evaluated as multitarget inhibitors of AChE, BChE, hCA I II. The chemical structures hybrids were confirmed by elemental analysis spectroscopic techniques. All tested compounds showed low nanomolar inhibition with IC 50 values in the range 30.4–264.0 nM against I, 23.2–251.6 II, 12.1–114.3 76.4–134.0 BChE. These inhibited AChE more than acetazolamide (AZA) neostigmine. Among them, 2c 2e , which have a linear structure, determined to be most active inhibitor candidates these selected enzymes. Molecular docking studies carried out on 2a‐ ‐ ), revealing their binding interactions site II thus supporting experimental findings. Additionally, silico absorption, distribution, metabolism, excretion (ADME) prediction obtained approaches determine solubility, whether they potential cross blood‐brain barrier (BBB), such GI absorption drug likeness principles.

Язык: Английский

Synthesis of new sulfonamide derivatives: Investigation of their interactions with carbonic anhydrase and cholinesterase enzymes by in vitro and in silico evaluations DOI
Muhammet Gürkan Kurban, Reşit Çakmak, Eyüp Başaran

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1314, С. 138798 - 138798

Опубликована: Май 30, 2024

Язык: Английский

Процитировано

8
New Sulfonate Ester‐Linked Fluorinated Hydrazone Derivatives as Multitarget Carbonic Anhydrase and Cholinesterase Inhibitors: Design, Synthesis, Biological Evaluation, Molecular Docking and ADME Analysis DOI Creative Commons

Berna Akış,

Reşit Çakmak, Murat Şentürk

и другие.

Chemistry & Biodiversity, Год журнала: 2024, Номер 21(12)

Опубликована: Авг. 19, 2024

Abstract In this study, some new hydrazone derivatives ( 2a – g ) was designed, synthesized for first time, and evaluated as multitarget inhibitors of AChE, BChE, hCA I II. The chemical structures hybrids were confirmed by elemental analysis spectroscopic techniques. All tested compounds showed low nanomolar inhibition with IC 50 values in the range 30.4–264.0 nM against I, 23.2–251.6 II, 12.1–114.3 76.4–134.0 BChE. These inhibited AChE more than acetazolamide (AZA) neostigmine. Among them, 2c 2e , which have a linear structure, determined to be most active inhibitor candidates these selected enzymes. Molecular docking studies carried out on 2a‐ ‐ ), revealing their binding interactions site II thus supporting experimental findings. Additionally, silico absorption, distribution, metabolism, excretion (ADME) prediction obtained approaches determine solubility, whether they potential cross blood‐brain barrier (BBB), such GI absorption drug likeness principles.

Язык: Английский

Процитировано

3