New, selective and effective molecules are needed to prevent Helicobacter pylori infections that cause gastroduodonal disorders. For this purpose, some new 2-hydrazono-2,3-dihydrothiazole derivatives were synthesized and their structures were confirmed by IR, NMR (H-1, C-13, APT, 2D-NMR) and elemental analysis. The antioxidant activities of the compounds were tested and compound 4f was found to be the most potent compound in three different antioxidant tests (CUPRAC, FRAP and DPPH assays). The inhibitory activities of the compounds against H. pylori and urease enzyme were evaluated. In vitro antibacterial activity tests against H. pylori showed that compounds 4b, 4e, 4h and 4n were the most potent compounds with MIC values of 60.0 mu g/mL. Compounds 4k and 4n exhibited higher anti-urease activity than the reference standard thiourea (IC50 = 15.14 mu M) with IC50 values of 0.95 mu M and 3.43 mu M, respectively. The cytotoxicity of the compounds 4h, 4k and 4n on L929 healthy cells was also investigated. Furthermore, molecular docking and MD simulation studies of the most potent compounds 4h, 4k and 4n with urease enzyme were performed. Thus, unlike current urease inhibitors, new compounds have been obtained that possess anti-urease as well as anti-H. pylori activity and low cytotoxicity.

ABSTRACT Type 2 diabetes mellitus (T2DM) remains a major global health challenge, necessitating the discovery of novel therapeutics with improved safety and efficacy. In this study, a series of imidazo‐thiadiazole‐linked benzisoxazoles ( 1–20 ) was synthesized and evaluated for dual inhibitory activity against α ‐glucosidase and α ‐amylase enzymes. Most compounds showed potent enzyme inhibition, with compounds 3 and 4 exhibiting superior activity against α ‐glucosidase and α ‐amylase (IC 50 = 1.56 and 3.01 µM for compound 3 ; IC 50 = 3.24 and 5.82 µM for compound 4 ) compared to the standard drug acarbose (IC 50 = 14.85 and 15.25 µM). Enzyme kinetic studies revealed both competitive and uncompetitive modes of inhibition. Structure–activity relationship (SAR) analysis highlighted that para ‐substituted electron‐withdrawing groups significantly enhanced inhibitory potential. Antioxidant activity was assessed using cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), and 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) assays, with compound 2 displaying the strongest effect. Molecular docking supported the in vitro results, revealing favorable interactions with key catalytic residues of target enzymes. ADME/T profiling confirmed desirable pharmacokinetic properties and drug‐likeness. Overall, these findings suggest that the synthesized hybrids represent promising multifunctional candidates for T2DM therapy, combining potent enzyme inhibition, antioxidant activity, and favorable drug‐like profiles.

While dual cholinesterase (AChE/BChE) inhibitors are urgently needed for Alzheimer's disease (AD) management, finding effective multi-target agents remains challenging. To address this, we designed and synthesized a novel series of thiazole-bearing compounds and evaluated their dual anticholinesterase and antioxidant potentials. The antioxidant capacities were tested via CUPRAC, FRAP, and DPPH assays, revealing compounds 1 and 8 as the most active derivatives with DPPH IC50 values of 62.510 +/- 0.027 mu M and 65.190 +/- 0.025 mu M, respectively]. For ChE inhibition, compound 3 emerged as a highly potent dual competitive inhibitor, outperforming the standard drug donepezil, with IC50 values of 1.440 mu M for AChE and 3.620 mu M for BChE. In silico studies elucidated the molecular basis of this activity; induced-fit docking revealed strong binding affinities for compound 3 with Glide scores of -9.82 kcal/mol (AChE) and -10.76 kcal/mol (BChE). Subsequent 500 ns molecular dynamics (MD) simulations confirmed the stability of these complexes, exhibiting low average protein RMSD values (2.25 & Aring; for AChE; 2.19 & Aring; for BChE) and highly favorable average MM/GBSA binding free energies (Delta Gbind) of -68.81 kcal/mol and -61.82 kcal/mol, respectively. Additionally, DFT calculations (MEP and FMO) were performed to elucidate the electronic properties correlating with the bioactivity. This study presents a novel thiazole scaffold as a promising lead for developing effective multi-target agents against AD.

Essential oils (EOs) are a significant component of herbal medicine worldwide. However, the components of the EOs from Grimmia orbicularis Bruch ex Wilson, Grimmia alpestris Schleich, Grimmia ovalis (Hedw.) Lindb., Grimmia lisae De., Dicranum scoparium Hedw., Dicranum majus Sm., Dicranum polysetum Sw. and Dicranum spadiceum J.E. Zetterst., as well as the antimicrobial activity of eight moss EOs and methanol extracts (MEs), and the antioxidant, anti-urease, anti-xanthine oxidase (XO) activity and total phenolic content (TPC) of MEs from these eight moss species have not yet been systematically evaluated. The composition of the EOs was determined using the GC/FID/MS method. The antioxidant activities of MEs from eight mosses were assessed using the FRAP and DPPH methods. In addition, the MEs of these eight mosses were analysed for TPC, urease and XO activity using a reference. A total of 80 compounds were identified in the EOs of the eight mosses, including mainly aldehydes (7.3%-95.3%), monoterpene hydrocarbons (53.7%-60.6%), oxygenated monoterpenes (0.2%-16.7%) and terpene-related compounds (1.3%-51.2%). The methanol extract of D. scoparium (FRAP: 341.107 +/- 1.248 mu mol; DPPH SC50: 0.145 +/- 0.005 mg/mL) exhibited the highest antioxidant activities, surpassing even Trolox. Furthermore, the methanol extract of D. scoparium significantly inhibited urease and XO, with IC50 values of 2.542 +/- 0.023 mu g/mL and IC50: 7.652 +/- 0.054 mu g/mL, respectively. The chemical composition of the EOs of these eight mosses is presented. Additionally, the biological activities were evaluated, confirming the ethnopharmacological use of these mosses based on their biological properties.

A library of piperate derivatives 3-25 was synthesized in a two-step reaction scheme starting from piperine 1, which was converted to piperic acid 2 first, and then reacted with various alkyl and aryl halides to afford the final products. Compounds were fully characterized and evaluated for their multitarget potential against well-established drug targets involved in diabetes and Alzheimer's diseases. In vitro assay revealed strong inhibitory activity against acetylcholinesterase (AChE), butylcholinesterase (BChE), α-glucosidase, and α-amylase. Compounds 6-15, 19, and 21-23 were potent inhibitors of AChE, and compounds 6-8, 12-15, 19, and 21-23 were also more effective inhibitors of BChE than the standard donepezil. Compounds bearing halogens (F, Cl, and Br) exhibited noteworthy inhibitory potency against both targets. In addition, compounds 2, 3, 17, 18, and 25 were recognized as potent α-glucosidase and α-amylase inhibitors, outperforming standard acarbose. In particular, piperic acid (2) and compounds containing the cyanomethyl (compound 3), 3-methoxyphenyl (compounds 17, 18), and 2-nitrophenyl (compound 25) moieties showed remarkable inhibitory potential. Further, kinetic studies were conducted to unravel the inhibition mechanism against all four enzymes, while in silico studies identified key interactions between inhibitors and the active-site residues of each target. All compounds also displayed reasonable antioxidant potential, as evidenced by FRAP, CUPRAC, and DPPH assays, compared with the standard butylated hydroxytoluene (BHT). Detailed pharmacokinetic and ADME profiles were also predicted to assess the druggability of the compounds. The identified ligands have multitarget potential to inhibit the key enzymes associated with diabetes and Alzheimer's. They may serve as lead candidates for later stages of drug development.

The synthesis and spectral characterization of twenty-one (21) pyridazine-derived molecules (1–21) were accomplished to investigate their potential antidiabetic and antioxidant activities. Enzymatic assays against α-glucosidase and α-amylase, together with antioxidant evaluations using CUPRAC, FRAP, and DPPH methods, demonstrated that most compounds exhibited potent inhibitory activity. Notably, compounds 9 and 2 exhibited remarkable enzyme-inhibitory activity. Compound 9 showed superior inhibitory potential compared to acarbose, displaying IC50 values of 1.18 ± 0.01 μM against α-glucosidase and 3.86 ± 0.01 μM against α-amylase, while compound 2 exhibited IC50 values of 4.99 ± 0.01 μM and 7.56 ± 0.01 μM, respectively. Enzyme kinetic studies revealed both competitive and uncompetitive modes of inhibition, indicating distinct interaction profiles with the target enzymes. Molecular docking analyses supported the experimental findings by confirming strong interactions between the most active compounds and key catalytic residues of α-glucosidase (ARG-200, HIS-332, ASP-333, ARG-400) and α-amylase (TRP-59, TYR-62, GLU-233). The synthesized compounds also exhibited notable antioxidant activity, with compound 2 displaying the highest ferric and cupric reducing capacities. In silico ADME profiling indicated favorable oral bioavailability, acceptable absorption, and low predicted cardiotoxicity risk for the leading derivatives, particularly compound 9. Collectively, these results highlight the pyridazine scaffold as a promising chemotype for the development of multifunctional agents targeting hyperglycemia and oxidative stress in diabetes management.

This study aimed to investigate the anti-urease and anti-xanthine oxidase (XO) activities, essential oil components, and antioxidant properties of Lamium orientale populations in the Nevşehir Province, Turkey. The methanolic extracts of L. orientale were tested for their inhibitory effects on the urease and XO enzymes. Essential oil components were analyzed using solid-phase microextraction (SPME), followed by gas chromatography-mass spectrometry (GC-MS). Antioxidant potential was assessed by measuring total phenolic content (TPC), ferric reducing antioxidant power (FRAP) assay, and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity. Results showed that L. orientale exhibits significant enzyme inhibitory potential, with IC₅₀ values of 39.54 ± 0.98 µg/mL for anti-urease activity and 28.05 ± 0.88 µg/mL for anti-XO activity. Essential oil analysis identified 22 components, with acetoin (20.80%) and pentadecanolide (14.21%) as the main constituents. The total phenolic content was 4.48 ± 0.08 mg GAE/g of dry sample. The FRAP value was 59.33 ± 0.90 µmol FeSO₄/g, and the DPPH radical scavenging activity (IC₅₀) was 0.63 ± 0.01 mg/mL. This is the first study to report the inhibition potential of urease and xanthine oxidase (XO) in the genus Lamium , highlighting the potential of L. orientale as a source of new bioactive compounds.

A library of (E)-2-(2-(benzo[d][1,3]dioxol-5-ylmethylene)hydrazineyl)-4-(aryl)thiazole analogs were synthetic in a two-step reaction scheme and fully characterized by using various spectroscopic techniques. The synthetic compounds were explored for their potential therapeutic applications against validated drug targets of diabetes and Alzheimer's diseases. Thorough in vitro screening against alpha-glucosidase (AG), alpha-amylase (AA), acetylcholinesterase (AChE), and butylcholinesterase (BChE) resulted in profound inhibitory results by these compounds. Out of all active compounds, 17, 19, 18, 10, 13, and 14 were identified as potent inhibitors of AG compared to standard acarbose, as revealed by their enhanced inhibitory activity compared to standard. However, compounds 10, 17, 19, and 18 were recognized as more potent than acarbose against AA. In the case of AG and AA inhibition, compounds containing more electron-withdrawing nitro substitution showed remarkable inhibitory potential. In cases of AChE and BChE inhibitory activities, compounds 8-11, 5, and 6 were found to be potent inhibitors as compared to standard donepezil. Thorough kinetic studies were also carried out to see the inhibition mode of the compounds to complement the inhibitory studies. In silico studies were also performed to unravel the molecular interaction of the ligands (inhibitors) with the active site of each enzyme. The whole series was also evaluated for potential antioxidant activities via CUPRAC, FRAP, and DPPH methods and found to be significantly active compared to standard butylated hydroxytoluene (BHT). All complementary studies are well supported and identify a range of hit candidates for subsequent stages of drug development against diabetes and Alzheimer's disease.

The aim of this study is to characterize Bacillus sp. strains isolated from healthy honeybees (Apis mellifera) and the metabolites they produce in growth medium, and to ascertain their antimicrobial and antioxidant activities. With the characterization of Bacillus sp. strains, microscopy, resistance to harsh conditions, biochemical tests, antibiograms, antibacterial and antifungal activities were tested. Bacillus strains exhibited optimum growth at 35 °C, pH 8.0, 5

BACKGROUND:The dual burden of diabetes and Alzheimer's highlights the urgent need for multifunctional therapeutic agents. This study explores piperonal-derived Schiff base derivatives as potential dual-action enzyme inhibitors against α-amylase (AA), α-glucosidase (AG), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE), offers a promising strategy for managing both conditions. METHODS:Schiff base derivatives of piperonal (heliotropin) were synthesized, structurally characterized, and explored against established drug targets of diabetes mellitus (DM) and Alzheimer's disease (AD). RESULTS:Compounds 7 (IC50 = 5.73 ± 0.01; 3.52 ± 0.02 µM) and 17 (IC50 = 10.91 ± 0.02; 7.38 ± 0.02 µM) showed potent inhibitory effects against AG and AA enzymes, in comparison to acarbose (IC50 = 14.98 ± 0.02 µM; 14.64 ± 0.02 µM). However, analogs 7, 9, 10, 14, and 15, compounds 7 (IC50 = 2.92 ± 0.02; 3.34 ± 0.02 µM) and 9 (IC50 = 8.16 ± 0.03; 7.19 ± 0.03 µM) showed remarkable inhibitory results against AChE and BChE, respectively, compared to standard donepezil chloride (IC50 = 37.89 ± 0.02 µM; 41.56 ± 0.03 µM). Comprehensive kinetic analyses and molecular docking supported findings by in vitro studies. Synthesized derivatives were also checked for their antioxidant potential and demonstrated significant activity. CONCLUSION:These complementary studies highlight several hit candidates for further development as therapeutic agents against DM and AD.

The current study deals with the preparation of polyfunctional benzopyran derivatives 1-25, synthesized by the condensation of 2,4-dihydroxy benzophenone, substituted aldehydes, and malononitrile. These compounds were evaluated for their inhibitory potential against AChE, BChE, alpha-amylase, and alpha-glucosidase enzymes, as well as for DPPH radical scavenging activity. Among 25 compounds, 1, 4-6, 14, 15, and 25 showed excellent inhibition against AChE (IC50 = 5.30 - 37.14 mu M) and BChE (IC50 = 8.20 - 43.13 mu M), compared to standard donepezil (IC50 = 40.05 for AChE; 45.00 mu M for BChE), respectively. Moreover, compounds 2, 3, 11, and 12 inhibited alpha-amylase (IC50 = 1.88 - 11.42 mu M) and alpha-glucosidase (IC50 = 2.54 - 8.36 mu M) with greater potency than the standard acarbose (IC50 = 14.65 mu M). Kinetic studies of the active compounds were also carried out to find the mode of inhibition. Furthermore, molecular docking was performed to determine the ligands' interaction with the enzyme's active site. In addition, compounds 9, 19, and 21 exhibited significant DPPH radical scavenging activity (SC50 = 44.88 - 64.61 mu M) compared to BHT (SC50 = 66.34 mu M). Thus, this study suggests that the reported compounds hold the potential to be further advanced as lead anti-Alzheimer and anti-diabetic agents.

Although the incidence of Alzheimer's disease increases with age, the number of effective drugs in the fight against this disease remains insufficient. In this regard, a new series of hydrazide-hydrazone derivative compounds ( 3a - 3n ) was synthesized and their structures were elucidated using spectral techniques. Then, all compounds were tested for their in vitro antioxidant and anticholinesterase activities. Compound 3i was found to have the highest antioxidant activity in the series with 63.750 ± 0.033 µM and 44.210 ± 0.058 µM SC 50 values in the DPPH and ABTS methods, respectively. Compound 3i exhibited significantly higher inhibitory properties than the reference standard donepezil with IC 50 values of 1.850 ± 0.013 µM and 3.680 ± 0.034 µM against AChE and BChE enzymes, respectively. The cytotoxicity and AChE inhibition potential of the compounds on the SH-SY5Y cell line were also evaluated. Compounds 3i and 3l were found to have the highest AChE inhibition (81.03 ± 2.05% and 83.84 ± 2.46%) in SH-SY5Y cells, respectively. Compound 3l also maintained cell viability at 100 µM concentration. The most active compounds in the series were investigated as competitive or noncompetitive inhibitors against AChE and BChE by enzyme kinetic studies. Moreover, molecular docking and MD simulation studies were used to describe the enzyme-ligand interactions and their stability.

We synthesized a novel 6-(4-substitue-piperazin-1-yl)-2-aryl-1H-benzimidazole derivatives starting from 5-(4-substitue-piperazin-1-yl)-2-nitroaniline with different aldehydes. A quick "onepot" nitro reductive cyclization synthesis employing sodium hydrosulfite as a reagent produced the benzimidazoles efficiently. Moreover, we carried out in vitro evaluations, which included an investigation of their α-amylase and α-glucosidase inhibitory activities, as well as their antioxidant properties. The results demonstrated that all the synthesized analogs exhibited significant inhibition of both α-glucosidase and α-amylase potential between IC50 = 0.85 ± 0.25 - 29.72 ± 0.17 µM and IC50 = 4.75 ± 0.24 - 40.24 ± 0.10 µM, respectively, in comparison to the standard acarbose (IC50 = 14.70 ± 0.11 μM). According to the analysis of the kinetic experiments, most of active compounds inhibit a competitive mechanism. Furthermore, the synthesized analogs showed notable DPPH radical scavenging capabilities against standard butylated hydroxytoluene, with SC50 values ranging from 19.05 ± 0.21 to 80.55 ± 0.45 μM. Additionally, molecular docking experiments revealed the interaction profile of each drug when assessing their dock scores to obtain insight into how each chemical would bind to the α-glucosidase and α-amylase enzymes.

Due to the lack of an effective treatment for Alzheimer's disease, there is a need for the development of new and effective compounds. The synthesis of some new hydrazone derivatives (TA1-TA14) based on Clopidogrel bisulfate has been carried out. IR, 1H-NMR, 13C-NMR, 2D-NMR (HSQC) and MS spectroscopic techniques were used to elucidate the chemical structures of the compounds. Antioxidant and cholinesterase activities of the compounds were evaluated. Compound TA2 bearing bromo substituent has the highest antioxidant activity in the series. Compound TA11 bearing methoxy substituent exhibited the highest inhibitory activity in the series with IC50 values of 8.540±0.015 µM and 7.980±0.026 μM against AChE and BChE, respectively. Kinetic studies (Lineweaver-Burk plots) revealed that TA11 was a competitive inhibitor. In addition, molecular docking studies aimed to elucidate the interactions between these designed compounds and key enzymes, including AChE and BChE. TA11 has been evaluated as a promising candidate for further studies to develop new agents in the fight against Alzheimer's disease.

To improve and develop our monotherapeutic approach for Helicobacter pylori infection, some Schiff base compounds containing eugenol and guaiacol were synthesized and their antioxidant capacities, urease enzyme inhibition, and Anti-Helicobacter pylori effect were investigated and compared with azo analogs in the literature. All Schiff base compounds have been found to have both stronger urease enzyme inhibitory and more effective Anti-Helicobacter pylori properties than its azo analogs. In particular, the antimicrobial effect of Schiff bases containing eugenol increased dramatically when compared to their azo analogs.

Existing drugs that are being used to treat type -2 diabetes mellitus are associated with several side effects; thus, exploring potential drug candidates is still an utter need these days. Hybrids of indenoquinoxaline and hydrazide have never been explored as antidiabetic agents. In this study, a series of new indenoquinoxalinephenylacrylohydrazide hybrids ( 130 ) were synthesized, structurally characterized, and evaluated for alpha-amylase and alpha-glucosidase inhibitory activities, as well as for their antioxidant properties. All scaffolds exhibited varying degrees of inhibitory activity against both enzymes, with IC 50 values ranging from 2.34 to 61.12 mu M for alpha-amylase and 0.42 to 54.72 mu M for alpha-glucosidase. Particularly, compounds 10 , 16 , 17 , 18 , 24 , and 25 demonstrated the highest efficacy in inhibiting alpha-amylase, while compounds 6 , 7 , 8 , 10 , 12 , 14 , 13 , 16 , 17 , 18 , 24 , and 25 were the most effective alpha-glucosidase inhibitors, compared to standard acarbose. Moreover, most of these compounds displayed substantial antioxidant potential compared to standard butylated hydroxytoluene (BHT). Kinetics studies revealed competitive inhibition modes by compounds. Furthermore, a comprehensive in silico study and toxicity prediction were also conducted, further validating these analogs as potential drug candidates. The structured compounds demonstrated enhanced profiles, underscoring their potential as primary candidates in drug discovery.

Aim: Quinoline scaffolds are serving as the core structure for numerous antifungal, analgesic, antipyretic, anti-inflammatory drugs as well as have also been investigated for their potential antidiabetic properties. Though further exploration is required in this area as the current antidiabetic agents, such as acarbose, miglitol and voglibose, are associated with several adverse side effects. In this context, arylated tetrahydrobenzo[H]quinoline-3-carbonitrile derivatives were designed and evaluated as potential antidiabetic agents.Materials & methods: A one-pot multicomponent reaction of 6-methoxy-1-tetralone with ethyl cyanoacetate, ammonium acetate and varying aldehydes yielded a range of new arylated tetrahydrobenzo[h]quinoline-3-carbonitrile molecules 1-36.Results: Compounds 2-5, 12, 13, 19 and 32-34 showed excellent inhibition against α-amylase (IC50 = 3.42-15.14 μM) and α-glucosidase (IC50 = 0.65-9.23 μM) enzymes in comparison to the standard acarbose (IC50 = 14.35 μM). In addition, all compounds revealed significant to moderate DPPH radical scavenging activity (SC50 = 21.30-138.30 μM) compared with BHT (SC50 = 64.40 μM). Kinetic studies confirmed competitive inhibition mode, while molecular docking studies comprehend ligands' interaction with enzyme's active sites and absorption, distribution, metabolism, and excretion analysis confirms that all synthetic derivatives are nontoxic.Conclusion: This research offers a range of lead candidates to become antidiabetic agents after further advanced study.

A library of imidazole-thiadiazole compounds (1-24) was synthesized to explore their therapeutic applications. The compounds were subjected to meticulous in vitro evaluation against α-glucosidase, α-amylase, acetylcholinesterase (AChE), and butylcholinesterase (BChE) enzymes. Compounds were also investigated for antioxidant activities using cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), and 1,1-diphenyl-2-picrylhydrazyl (DPPH) assays. Derivatives 5-7, 9-11, 18, and 19 displayed potent inhibitory activities with IC50 values of 1.4 ± 0.01 to 13.6 ± 0.01 and 0.9 ± 0.01 to 12.8 ± 0.02 µM against α-glucosidase, and α-amylase enzymes, respectively, compared to the standard acarbose (IC50 = 14.8 ± 0.01 µM). Compounds 11-13, 16, 20, and 21 exhibited potent activity IC50 = 8.6 ± 0.02 to 34.7 ± 0.03 µM against AChE enzyme, compared to donepezil chloride (IC50 = 39.2 ± 0.05 µM). Compound 21 demonstrated comparable inhibition IC50 = 45.1 ± 0.09 µM against BChE, compared to donepezil chloride (IC50 = 44.2 ± 0.05 µM). All compounds also demonstrated excellent antioxidant activities via CUPRAC, FRAP, and DPPH methods. Complementing the experimental studies, extensive kinetics, ADME/T, and molecular docking analysis were also conducted to unravel the pharmacokinetics and safety profiles of the designed compounds. These studies supported the experimental findings and facilitated the prioritization of hit candidates for subsequent stages of drug development.

While people use the aerial parts of some Sideritis species as tea and sweetener, some species are used for medicinal purposes. In this study, anti-urease, anti-xanthine oxidase, and antioxidant activity of Sideritis lanata was determined together with the essential oil contents. The essential oil compositions were determined solid phase micro-extraction by GC/MS. The IC50 value of the current study was found to be 41.420 µg/mL for inhibition of urease and 33.725 µg/mL for inhibition of xanthine oxidase. A total of 22 components were identified in the essential oil analysis. Spathulenol (24.63

In an effort to develop new and effective therapeutic agents for Alzheimer's disease, a series of hydrazone derivatives bearing piperidine rings have been designed and synthesized. The chemical structures of the compounds were characterized by various spectroscopic techniques. In vitro antioxidant and cholinesterase activities of the compounds were evaluated. Among the compounds, N12 exhibited the most antioxidant activity in all methods (CUPRAC, FRAP, DPPH, ABTS). In vitro acetylcholinesterase (AChE) activity results of the compounds showed good IC50 values between 14.124 ± 0.084 and 49.680 ± 0.110 µM were obtained (IC50 = 38.842 ± 0.053 µM for Donepezil). Among the compounds, N7 and N6 are much more effective derivatives than the standard compound donepezil with IC50 values of 14.124 ± 0.084 and 17.968 ± 0.072 µM, respectively. In vitro, butyrylcholinesterase (BChE) inhibition values of the compounds were between 13.505 ± 0.025 and 52.230 ± 0.027 μm. Among the compounds, N6 has the highest BChE inhibition with an IC50 value of 13.505 μm in the series. The cytotoxicity and AChE inhibitory activity of the compounds on SH-SY5Y cell lines were also evaluated. Kinetic studies were also performed to determine the behavior of the compounds as competitive or noncompetitive inhibitors. The binding modes of N6, which was determined to be highly effective according to in vitro analyses, with AChE and BChE were investigated using molecular docking studies, and the stability of the complexes was determined by molecular dynamics simulations. These findings indicated that AChE and BChE enzymes maintained their overall structural stability and compactness during interactions with compound N6.