4‐Furfuryloxymethyl‐1,2,3‐triazol‐1‐yl‐acetohydrazide Hybrids as Cholinesterase and Carbonic Anhydrase Inhibitors: Synthesis, Characterization and Comprehensive Biological Activity Studies

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(6)

Published: Feb. 6, 2024

Abstract This study focused on the synthesis and evaluation of biological activity ten novel acetohydrazide hybrid derivatives, having furfuryloxy‐1,2,3‐triazole ring. All target compounds were tested in vitro silico for their inhibitory potential against key enzymes: hAChE, hBChE, hCAI, hCAII, all involved significant physiological processes. Remarkably, two compounds, namely (E)‐2‐(4‐((furan‐2‐ylmethoxy)methyl)‐1H‐1,2,3‐triazol‐1‐yl)‐N′‐(4‐hydroxy‐3‐methoxybenzylidene)acetohydrazide (9) (E)‐N′‐(4‐chlorobenzylidene)‐2‐(4‐((furan‐2‐ylmethoxy)methyl)‐1H‐1,2,3‐triazol‐1‐yl)acetohydrazide (11) , exhibited strong activity. Compound 9 emerged as top‐performing inhibitor both hAChE (IC 50 0.23 μM) hBChE 0.74 μM). Additionally, 11 displayed potent effects hCAI with IC values 0.18 μM 0.15 μM, respectively. Furthermore, studies provided valuable insights into interaction mechanisms stability ligand‐protein complexes. demonstrated binding scores −12.063 kcal/mol −9.359 while substantial −7.040 −8.216 hCAII. In conclusion, they stand out promising inhibitors hCAII enzymes. Their activity, supported by low values, indicated to inhibit enzymes associated neurological metabolic

Language: Английский

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Solvation model, Vibrational analysis, Electronic level, Non-Covalent interactions and Molecular docking investigations of 6-Chloro-2-(4-Aminophenyl)-1H-Benzimidazole

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 398, P. 124315 - 124315

Published: Feb. 23, 2024

Language: Английский

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Hybrid benzothiazole derived fused triazole/thiazole derivatives as versatile anti-Alzheimer agents: synthesis, characterization, biological evaluation and molecular docking studies

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1318, P. 139200 - 139200

Published: July 5, 2024

Language: Английский

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Therapeutic Role of Heterocyclic Compounds in Neurodegenerative Diseases: Insights from Alzheimer’s and Parkinson’s Diseases

Neurology International, Journal Year: 2025, Volume and Issue: 17(2), P. 26 - 26

Published: Feb. 7, 2025

Alzheimer’s and Parkinson’s are the most common neurodegenerative diseases (NDDs). The development of aberrant protein aggregates progressive permanent loss neurons major characteristic features these disorders. Although precise mechanisms causing disease (AD) (PD) still unknown, there is a wealth evidence suggesting that misfolded proteins, accumulation dysfunction neuroreceptors mitochondria, dysregulation enzymes, release neurotransmitters significantly influence pathophysiology diseases. There no effective protective medicine or therapy available even with availability numerous medications. an urgent need to create new powerful bioactive compounds since number people NDDs rising globally. Heterocyclic have consistently played pivotal role in drug discovery due their exceptional pharmaceutical properties. Many clinically approved drugs, such as galantamine hydrobromide, donepezil hydrochloride, memantine opicapone, feature heterocyclic cores. As therapeutic potential, heterocycles intriguing research topic for drugs PD AD. This review aims provide current insights into potential use targeting diverse targets manage potentially treat patients AD PD.

Language: Английский

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Review of synthesis process of benzoxazole and benzothiazole derivatives

Synthetic Communications, Journal Year: 2024, Volume and Issue: 54(10), P. 769 - 801

Published: April 5, 2024

Benzoxazoles and benzothiazoles are a class of aromatic heterocyclic compounds having similar ring structures, in which benzene is fused to the 4 5 positions 1,3-oxazole 1,3-thiazole rings respectively. They constitute an interesting organic due their powerful significant biological, agrochemical, pharmaceutical physicochemical activities. Indeed, benzoxazole benzothiazole derivatives possess wide range applications, such as: anticancer, anti-inflammatory, antioxidant, anticonvulsant, antitubercular, antifungal, pesticidal, anticorrosive, complexing properties so on. The synthesis has attracted much attention from several researchers across world numerous synthetic methods have been developed access these over past decades. In this review, we present new recent strategies, as well some biological derivatives.

Language: Английский

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Synthesis, Molecular Docking, DFT, ADMET, and Antimicrobial Activity Studies of New 2‐Substituted‐5‐(methyl/ethylsulfonyl)benzoxazole Derivatives

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(3)

Published: Jan. 1, 2025

Abstract In this study, synthesis, characterization, and biological activities of 30 original 5‐methyl/ethylsulfonyl‐2‐(4‐(4‐substituted piperazine/piperidine)acetamido)phenylbenzoxazole derivatives were investigated. The structures the final compounds characterized using 1 H NMR, 13 C mass spectroscopy. Then, all newly synthesized screened for their antimicrobial against S. aureus ATCC 29213, E. faecalis 29212, coli 25922, P. aeruginosa 27853, C. albicans 10231, drug‐resistant isolates by applying MIC analyses ampicillin, gentamicin, vancomycin, ciprofloxacin, fluconazole as standards. Microbiological results showed that N17, N18, N20, N25–N28, N30–N32 exhibited activity VREF at 32 µg/mL, comparable to ampicillin vancomycin. interactions on DNA gyrase enzyme evaluated molecular docking (PDB: 4KTN). Using DFT/B3LYP theory 6‐311G(d,p) basis set, HOMO–LUMO orbital energies other electronic characteristics obtained from these MEP analysis carried out. These then correlated with experimental data. Furthermore, computational prediction was performed predict in silico ADMET properties compounds.

Language: Английский

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Acetylcholinesterase Inhibitors from Carbamate and Benzo-fused Heterocyclic Scaffolds: Promising Therapeutics for Alzheimer’s Disease

Medicinal Chemistry Research, Journal Year: 2025, Volume and Issue: unknown

Published: April 18, 2025

Language: Английский

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Synthesis, fluorescence, enzymes effects, and evaluation of tetrahydroxy substituted zinc phthalocyanine as multitarget metabolic enzyme inhibitors with molecular docking: the biochemistry-oriented drug design

Journal of the Iranian Chemical Society, Journal Year: 2024, Volume and Issue: 21(9), P. 2413 - 2424

Published: Aug. 27, 2024

Language: Английский

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Review on Therapeutic Diversity of Oxazole Scaffold: An Update

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(38)

Published: Oct. 1, 2024

Abstract Oxazole, a five‐membered cyclic ring containing oxygen and nitrogen, displays diverse interactions structural variations, enhancing its potential applications across various domains. Oxazole derivatives exhibit pharmacological activities, including antidiabetic, anticonvulsant, anticancer, phosphodiesterase inhibition, antiprotozoal, antibacterial effects, making them appealing to medicinal chemists. Their presence in naturally occurring pharmacologically active substances as well synthetic medicines underscores their therapeutic potential. This review encompasses recent advancements the biological activities of oxazole during period 2018–2023. The discussed include antitumor, central nervous system (CNS) modulation, anti‐Alzheimer, antibacterial, enzyme inhibitory effects. highlights mechanisms action these compounds diseases, most potent along with respective IC 50 /MIC (inhibitory concentration/minimum concentration) values, discusses models utilized for quantifying activity. Currently, there are eight FDA‐approved drugs bearing scaffolds available market. Analysis literature reveals that antitumor activity is particularly noteworthy among activities. incorporation phenyl, methoxyphenyl, or halogen‐substituted phenyl moieties significantly enhances compared reference drugs. substitution flexibility at three positions contributes spectrum

Language: Английский

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Facile and an efficient one-pot synthesis of 2-arylbenzoxazoles promoted by transition metal oxide nano catalyst

Journal of Physics Conference Series, Journal Year: 2024, Volume and Issue: 2765(1), P. 012021 - 012021

Published: May 1, 2024

Abstract The advantages and an efficient path way of process for 2-arylbenzoxazole can be obtained by transition metal oxide Nano catalyst. nano TiO 2 catalysed a tandem reaction between substituted 2-aminophenols aromatic aldehydes to produces scaffold series 15 smoothly forming benzo heterocycles with good excellent yields (80-94%). synthesized benzoxazole compounds were confirmed FT-IR, 1 H, 13 CNMR, mass spectroscopy. This article describes one-stage coupling technique that provides unique access variously functionalized scaffolds. methodology consists one-pot combination condensation followed oxidative addition reactions. It was shown in ethanol encouraged the formation 2-aryl scaffolds this catalyst quickly boosted cascade produced variety collections named derivatives. These protocols are atom-economic, efficient, reusable modular means accessing restricted derivatives have substantial substrate tolerance over ten points diversity.

Language: Английский

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