Cytotoxic effect, enzyme inhibition, and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif

Molecular Diversity, Год журнала: 2022, Номер 26(5), С. 2825 - 2845

Опубликована: Апрель 9, 2022

Язык: Английский

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Discovery of novel benzenesulfonamides incorporating 1,2,3-triazole scaffold as carbonic anhydrase I, II, IX, and XII inhibitors

International Journal of Biological Macromolecules, Год журнала: 2023, Номер 239, С. 124232 - 124232

Опубликована: Март 29, 2023

Язык: Английский

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Screening of Antiglaucoma, Antidiabetic, Anti-Alzheimer, and Antioxidant Activities of Astragalus alopecurus Pall—Analysis of Phenolics Profiles by LC-MS/MS

Pharmaceuticals, Год журнала: 2023, Номер 16(5), С. 659 - 659

Опубликована: Апрель 28, 2023

Astragalus species are traditionally used for diabetes, ulcers, leukemia, wounds, stomachaches, sore throats, abdominal pain, and toothaches. Although the preventive effects of against diseases known, there is no record therapeutic alopecurus. In this study, we aimed to evaluate in vitro antiglaucoma, antidiabetic, anti-Alzheimer's disease, antioxidant activities methanolic (MEAA) water (WEAA) extracts aerial part A. Additionally, its phenolic compound profiles were analyzed by liquid chromatography-tandem mass spectrometry (LC-MS/MS). MEAA WEAA evaluated their inhibition ability on α-glycosidase, α-amylase, acetylcholinesterase (AChE), human carbonic anhydrase II (hCA II) enzymes. The compounds LC-MS/MS. Furthermore, total flavonoid contents determined. context, activity was 1,1-diphenyl-2-picrylhydrazyl (DPPH), 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), N,N-dimethyl-p-phenylene diamine (DMPD), ferric reducing power (FRAP), cupric ions (Cu2+) capacity (CUPRAC), (Fe3+) reducing, ferrous (Fe2+) chelating methods. had IC50 values 9.07 2.24 μg/mL 693.15 346.58 1.99 2.45 AChE, 147.7 171.7 hCA II. While amounts 16.00 18.50 μg gallic acid equivalent (GAE)/mg extract, both calculated as 66.23 33.115 quercetin (QE)/mg, respectively. showed, respectively, variable DPPH radical scavenging (IC50: 99.02 115.53 μg/mL), ABTS 32.21 30.22 µg/mL), DMPD 231.05 65.22 Fe2+ 46.21 33.01 μg/mL). abilities were, Fe3+ (λ700: 0.308 0.284), FRAP (λ593: 0.284 CUPRAC (λ450: 0.163 0.137). A 35 phenolics scanned, 10 determined LC-MS/MS analysis. revealed that mainly contained isorhamnetin, fumaric acid, rosmarinic derivatives. This first report indicating have abilities, activities. These results demonstrate potential through properties enzyme inhibitor medicine. work provides foundation further research into establishment novel therapeutics glaucoma, Alzheimer's disease.

Язык: Английский

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Design, synthesis, characterization, in vitro and in silico evaluation of novel imidazo[2,1-b][1,3,4]thiadiazoles as highly potent acetylcholinesterase and non-classical carbonic anhydrase inhibitors

Bioorganic Chemistry, Год журнала: 2021, Номер 113, С. 105009 - 105009

Опубликована: Май 23, 2021

Язык: Английский

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Molecular docking and inhibition studies of vulpinic, carnosic and usnic acids on polyol pathway enzymes

Journal of Biomolecular Structure and Dynamics, Год журнала: 2021, Номер 40(22), С. 12008 - 12021

Опубликована: Авг. 23, 2021

Aldose reductase (AR) and sorbitol dehydrogenase (SDH) are important enzymes of the polyol pathway. In current study, inhibitory effects vulpinic acid (VA) carnosic (CA) usnic (UA) on purified AR SDH were determined. These inhibition could be essential to prevent diabetic complications. from sheep kidney. Then, VA, CA UA tested in various concentrations against these activity vitro. KI values found as 1.46 ± 0.04, 5.13 0.25 11.71 0.27 μΜ for UA, respectively, AR. constants 15.32 0.34, 145.60 2.17 213.40 2.64 SDH. findings indicate that useful treatment complications.Communicated by Ramaswamy H. Sarma

Язык: Английский

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Novel metabolic enzyme inhibitors designed through the molecular hybridization of thiazole and pyrazoline scaffolds

Archiv der Pharmazie, Год журнала: 2021, Номер 354(12)

Опубликована: Сен. 27, 2021

New hybrid thiazolyl-pyrazoline derivatives (4a-k) were obtained through a facile and versatile synthetic procedure, their inhibitory effects on the human carbonic anhydrase (hCA) isoforms I II as well acetylcholinesterase (AChE) determined. All new thiazolyl-pyrazolines showed activity at nanomolar levels hCA I, II, AChE inhibitors, with KI values in range of 13.35-63.79, 7.01-115.80, 17.89-48.05 nM, respectively. 1-[4-(4-Cyanophenyl)thiazol-2-yl]-3-(4-piperidinophenyl)-5-(4-fluorophenyl)-2-pyrazoline (4f) 1-(4-phenylthiazol-2-yl)-3-(4-piperidinophenyl)-5-(4-fluorophenyl)-2-pyrazoline (4a) against hCAs 1-[4-(4-chlorophenyl)thiazol-2-yl]-3-(4-piperidinophenyl)-5-(4-fluorophenyl)-2-pyrazoline (4d) 1-[4-(4-nitrophenyl)thiazol-2-yl]-3-(4-piperidinophenyl)-5-(4-fluorophenyl)-2-pyrazoline (4b) identified highly potent superior to standard drugs, acetazolamide tacrine, Compounds 4a-k also evaluated for cytotoxic L929 mouse fibroblast (normal) cell line. Moreover, comprehensive ligand-receptor interaction prediction was performed using ADME-Tox, Glide XP, MM-GBSA modules Schrödinger Small-Molecule Drug Discovery Suite elucidate potential binding modes inhibitors these metabolic enzymes.

Язык: Английский

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Design, synthesis, and biological activity of novel dithiocarbamate‐methylsulfonyl hybrids as carbonic anhydrase inhibitors

Archiv der Pharmazie, Год журнала: 2022, Номер 355(8)

Опубликована: Май 3, 2022

Abstract Carbonic anhydrase (CA) enzymes are involved in many physiological events. These enzymes, which contain Zn 2+ their structure, can be easily inhibited by dithiocarbamate compounds. In addition, CA enzyme inhibitory activities known groups such as sulfonamide and methylsulfonyl. For this purpose, study, a series of 23 new dithiocarbamate‐methylsulfonyl derivatives were synthesized investigated. The inhibition potentials the obtained compounds against human I II investigated vitro isolation method. It is seen that show activity at nanomolar level. Molecular docking studies carried out silico methods. poses 2a , 2e 2o 2t presented.

Язык: Английский

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Biological effects of bis-hydrazone compounds bearing isovanillin moiety on the aldose reductase

Bioorganic Chemistry, Год журнала: 2021, Номер 117, С. 105473 - 105473

Опубликована: Ноя. 8, 2021

Язык: Английский

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Synthesis and characterization of novel acyl hydrazones derived from vanillin as potential aldose reductase inhibitors

Molecular Diversity, Год журнала: 2022, Номер 27(4), С. 1713 - 1733

Опубликована: Сен. 14, 2022

Язык: Английский

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Novel bis-ureido-substituted sulfaguanidines and sulfisoxazoles as carbonic anhydrase and acetylcholinesterase inhibitors

Molecular Diversity, Год журнала: 2022, Номер 27(4), С. 1735 - 1749

Опубликована: Сен. 22, 2022

Язык: Английский

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