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Synthesis, Biological Evaluation, and In Silico Studies of New Hydrazone‐Sulfonate Hybrids as Dual Inhibitors of Carbonic Anhydrase and Cholinesterase Enzymes

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Facile Synthesis of Benzimidazoles via Oxidative Cyclization of Acyclic Monoterpene Aldehyde with Diamines: Studies on Antimicrobial and in Vivo Evaluation of Zebrafish

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Design, synthesis, in-vitro biological profiling and molecular docking of some novel oxazolones and imidazolones exhibiting good inhibitory potential against acetylcholine esterase

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Novel Stannoxane-based cage: Development, biological activity, computational and DNA interaction studies

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Inhibition of Acetylcholinesterase by Novel Lupinine Derivatives

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Aldol-click generated silane: A turn-on fluorescent sensor for Al3+ ion and exploring its anti-Alzheimer activity via molecular docking

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Synthesis, complexation, in vitro cholinesterase inhibitory activities and molecular docking of azinethiacrown ethers and acyclic thiacrown ethers derived indole

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In Silico Exploration of Metabolite-Derived Soft Materials Using a Chemical Reaction Network

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Synthesis and Antimicrobial Activity of Novel Sulfonyl Piperidine Carboxamide Derivatives Prepared from N-Boc-Piperidine-3-carboxylic Acid via Amide Coupling

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ajc, 2025, 37, 1315
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Targeted Development of Pyrazoline Derivatives for Neurological Disorders: A Review

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ChemistrySelect, 2024, 9
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Screening of Multitarget-Directed Natural Compounds as Drug Candidates for Alzheimer’s Disease Using In Silico Techniques: Their Extraction and In Vitro Validation

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ACS Omega, 2023, 8, 38118
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Substituted bisbenzimidazole derivatives as multiple targeting agents to treat Alzheimer's disease, diabetes, and microbial infections

Oztekin Algul, Burak Mete, Burcin Turkmenoglu, Ruya Saglamtas, M.Abdullah Alagoz, Aylin Dogen, Ilhami Gulcin and Serdar Burmaoglu

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Computational Design and Assessment of Bi‐Heterocyclic Donepezil Derivatives as Enhanced Acetylcholinesterase Inhibitors

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Advcd Theory and Sims, 2025
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A century-old one-pot multicomponent Biginelli reaction products still finds a niche in drug discoveries: Synthesis, mechanistic studies and diverse biological activities of dihydropyrimidines

Syed Faizan, Tamsheel Fatima Roohi, Ruby Mariam Raju, Yuvaraj Sivamani and Prashantha Kumar BR

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Exploring fluorine-substituted piperidines as potential therapeutics for diabetes mellitus and Alzheimer's diseases

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Green Synthesis of Thiazoles and Thiadiazoles having Anticancer Activities under Microwave Irradiation

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Synthesis, biological evaluation, and molecular docking study of xanthene-linked thiosemicarbazones as cholinesterase inhibitors

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Journal of Biomolecular Structure and Dynamics, 2024, 42, 13232
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Synthesis of α-Naphthalene Acetic Acid Derived Bis -Schiff Bases: In Vitro Cholinesterase Inhibition, Molecular Docking, Dynamics Simulations, Kinetics, and DFT Analysis

Amrina Bibi, Aftab Alam, Tanzeela Ahmad Shah, Burak Tüzün, Imtiaz Ahmad, Muhammad Ayaz, Sajjad Ur Rahman, Ahmed A. Elhenawy, Syed Adnan Ali Shah, Abdul Latif, Mumtaz Ali and Manzoor Ahmad

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Acetylcholinesterase as a Multifunctional Target in Amyloid-Driven Neurodegeneration: From Dual-Site Inhibitors to Anti-Agregation Strategies

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Hydrazone–Sulfonate Hybrids as Potential Cholinesterase Inhibitors: Design, Synthesis and Molecular Modeling Simulation

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Naphthofuran-triazoles as effective templates for bacterial tyrosinase inhibition: BTEAC catalyzed ultrasound assisted synthesis, in vitro biological evaluation and in silico validation

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Journal of Molecular Structure, 2025, 1327, 141209
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Chiral Anthranilic Amides as Potential Cholinesterase Inhibitors: Synthesis, Bioactivity Assessment, and Molecular Modeling

Turgay Tunç, Namık Kılınç, Nadir Demirel and Zuhal Alım

Chemistry & Biodiversity, 2025
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Synthesis, in vitro β-glucuronidase inhibitory potential and molecular docking study of benzimidazole analogues

Hayat Ullah, Ayesha Nawaz, Fazal Rahim, Imad Uddin, Amjad Hussain, Shawkat Hayat, Hussan Zada, Misbah Ullah Khan, Muhammad Saleem Khan, Amar Ajmal and Abdul Wadood

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Novel Triazolo-Tagged (Trifluoromethyl)quinazolin-4(3H)-one Derivatives and Their Anticancer Activity

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Design, Synthesis, and Molecular Docking Studies of Novel Pyrazoline-Thiazoles as Cholinesterase Dual-Target Inhibitors for the Treatment of Alzheimer’s Disease

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ACS Omega, 2025, 10, 38427
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Synthesis of Novel Schiff Bases with Piperidine Rings and Investigation of Their Antioxidant Capacities and Anticholinesterase and Carbonic Anhydrase Enzyme Inhibition Properties

Sertan Aytaç

ChemistrySelect, 2025, 10
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Specific Rosetta-based protein-peptide prediction protocol allows the design of novel cholinesterase inhibitor peptides

Ivan Sanchis, Florencia Aimaretti, Matias Lupotti, Alvaro Rietmann, José Dias, Xavier Brazzolotto, Roque Spinelli and Álvaro S. Siano

Bioorganic Chemistry, 2025, 156, 108202
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Design and synthesis of 2-amino-4,6-diarylpyrimidine derivatives as potent α-glucosidase and α-amylase inhibitors: structure–activity relationship, in vitro , QSAR, molecular docking, MD simulations and drug-likeness studies

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Journal of Biomolecular Structure and Dynamics, 2024, 42, 244
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Triazine-Based Hydrogen-Bonded Organic Frameworks as Cathode-Active Materials in Lithium- and Sodium-Ion Batteries

Katsuhiro Wakamatsu, Yoshihiko Yamaguchi, Soichiro Furuno, Hosei Oshima, Naoki Kobayashi, Takeshi Shimizu, Heng Wang and Hirofumi Yoshikawa

ACS Appl. Energy Mater., 2025, 8, 12019
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Zeolite omega-catalyzed synthesis of 2-(phenyl(phenylamino)methyl) malononitrile: spectroscopic analysis, DFT calculations and biological activity prediction

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Lewis base-catalyzed [3 + 2] annulation of β-oxo-acrylamides with acyl isothiocyanates: facile access to 2-iminothiazolidin-4-one derivatives

Wanxing Liu, Zhehui Mao, Daohuang Chong, Zhaoxue Wang, Keying Zhang, Lingang Wu and Lei Xie

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Heterocyclic compounds with different moieties: synthesis and evaluation of biological activities assisted with the computational study

Dursun Kısa, Esra Koç, Kübra Sena Baş Topcu and Rizvan İmamoğlu

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Novel hydrazones derived from anthranilic acid as potent cholinesterases and α‐glycosidase inhibitors: Synthesis, characterization, and biological effects

Feyzi Sinan Tokalı, Parham Taslimi, Tugba Taskin‐Tok, Ahmet Karakuş, Nastaran Sadeghian and İlhami Gulçin

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Elastic and Electronically Inelastic Cross Sections for the Scattering of Electrons by Pyrrole

Murilo O. Silva, Romarly F. da Costa and Márcio H. F. Bettega

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New benzotriazole-derived α-substituted hemiaminal ethers with enhanced cholinesterase inhibition activity: Synthesis, structural, and biological evaluations

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A Multicomponent Synthetic Strategy for 2‐Pyrazolines and Pyrimidines Through Activation of Renewable Alcohols by a Versatile Fe(III) Catalyst and Friedländer Quinoline Synthesis

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ChemCatChem, 2025
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Development of Cholinesterase-Activatable Fluorescent Probes for Pesticide Residue Detection

Yuanxiang Li, Zi-Ye Zhang, Shuang-Yu Li, Xue-Yan Gong and Wen-Chao Yang

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Synthesis, Antioxidant, and Anticancer Studies of New 1,3,4‐Oxadiazole Derivatives Linked to Benzoquinoline

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ChemistrySelect, 2024, 9
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Synthesis of new fluorinated sulfonates and their Schiff bases as anti-Alzheimer drug candidates: An in vitro-in silico study

Reşit Çakmak, Eyüp Başaran, Selami Ercan, Mehmet Boğa, Ercan Çınar and Giray Topal

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DBU‐Mediated [4+2] Cyclization of Sulfoxonium Ylides and o‐Phenylenediamines for Quinoxaline Synthesis

Yujuan Wu, Lianji Zhang, Hongyang Xu, Jiawei Yang, Yongfei Wang, Cuiping Wang, Zhizhi Hu and Zhiqiang Zhang

Eur J Org Chem, 2025, 28
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Innovative approaches to Alzheimer's therapy: Harnessing the power of heterocycles, oxidative stress management, and nanomaterial drug delivery system

Mohammad Umar, Yasir Rehman, Subiya Ambreen, Sayed Md Mumtaz, Mohd Shaququzzaman, Mohammad Mumtaz Alam and Ruhi Ali

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A Strategic Advance from Pincer Complexes to Hexadentate‐Co(III) Catalyst for Metal–Ligand Cooperative Activation of Primary Alcohols to Access Highly Functionalized Pyrimidines

Prashant Kukreti, Yutaka Hitomi and Kaushik Ghosh

Chemistry A European J, 2025
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Exploring facile synthesis and cholinesterase inhibiting potential of heteroaryl substituted imidazole derivatives for the treatment of Alzheimer’s disease

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DNA protection, molecular docking, antioxidant, antibacterial, enzyme inhibition, and enzyme kinetic studies for parietin, isolated from Xanthoria parietina (L.) Th. Fr.

Semiha Yenigun, Yasar Ipek, Sarmad Marah, Ibrahim Demirtas and Tevfik Ozen

Journal of Biomolecular Structure and Dynamics, 2024, 42, 848
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Synthesis of oxadiazole-thiadiazole fluorochromane hybrids and their antioxidant activity

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Journal of Fluorine Chemistry, 2023, 270, 110171
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Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation

Filip Pidany, Jana Kroustkova, Abdullah Al Mamun, Daniela Suchankova, Xavier Brazzolotto, Florian Nachon, Fabien Chantegreil, Rafael Dolezal, Lenka Pulkrabkova, Lubica Muckova, Martina Hrabinova, Vladimir Finger, Martin Kufa, Ondrej Soukup, Daniel Jun, Jaroslav Jenco, Jiri Kunes, Lucie Novakova, Jan Korabecny and Lucie Cahlikova

European Journal of Medicinal Chemistry, 2023, 252, 115301
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Exploring the multi-target enzyme inhibition potential of new sulfonamido-thiazoline derivatives; synthesis and computational studies

Imran Shafique, Aamer Saeed, Atteeque Ahmed, Ghulam Shabir, Anwar Ul-Hamıd, Ajmal Khan, Burak Tüzün, Mahinur Kirici, Parham Taslimi and Muhammad Latif

Results in Chemistry, 2022, 4, 100656
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Copper-assisted palladium catalyzed the cross-coupling reaction of Alknylalane reagents with 2-Thiobenzo[d]thiazoles via C–S bond cleavage

Hong-Liu Xiao, Xiao-Ying Jia, Jia-Xia Pu, Li-Rong Han and Qing-Han Li

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C−N and C−C Bond Formation in Annulation and Aromatization through Metal‐Catalyzed Photoredox C−H Functionalization

Parth Patel, Dixita Patel and Kishor Chikhalia

ChemistrySelect, 2023, 8
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In vitro enzymatic, in silico ADME and molecular docking based analysis for the identification of novel bis-indole containing triazine–thiazole hybrids derivatives as promising urease inhibitors

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz and Metab Alharbi

Zeitschrift für Naturforschung C, 2024, 79, 195
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Investigation of pivalic acid-derived organotin(IV) carboxylates: Synthesis, structural insights, interaction with biomolecules, and computational studies

Kaleem Ullah, Saqib Ali, Ali Haider, Saba Naz, Sammer Yousuf, Khurram Shahzad Munawar, Muhammad Saeed Jan, Rehman Zafar and Rajesh Kumar

Journal of Molecular Structure, 2025, 1322, 140444
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A comprehensive overview of the recent development of privileged 1, 3, 4-oxadiazole derivatives and their biological activities

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