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

Molecular Diversity, Journal Year: 2022, Volume and Issue: 26(5), P. 2825 - 2845

Published: April 9, 2022

Language: 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, Journal Year: 2023, Volume and Issue: 239, P. 124232 - 124232

Published: March 29, 2023

Language: 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, Journal Year: 2023, Volume and Issue: 16(5), P. 659 - 659

Published: April 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.

Language: 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, Journal Year: 2021, Volume and Issue: 113, P. 105009 - 105009

Published: May 23, 2021

Language: 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, Journal Year: 2021, Volume and Issue: 40(22), P. 12008 - 12021

Published: Aug. 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

Language: Английский

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

Archiv der Pharmazie, Journal Year: 2021, Volume and Issue: 354(12)

Published: Sept. 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.

Language: Английский

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

Archiv der Pharmazie, Journal Year: 2022, Volume and Issue: 355(8)

Published: May 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.

Language: Английский

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

Bioorganic Chemistry, Journal Year: 2021, Volume and Issue: 117, P. 105473 - 105473

Published: Nov. 8, 2021

Language: Английский

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

Molecular Diversity, Journal Year: 2022, Volume and Issue: 27(4), P. 1713 - 1733

Published: Sept. 14, 2022

Language: Английский

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

Molecular Diversity, Journal Year: 2022, Volume and Issue: 27(4), P. 1735 - 1749

Published: Sept. 22, 2022

Language: Английский

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