References

Computational study of antiviral, anti-bacterial, and anticancer activity of green-extracted Sidr (Ziziphus spina-Christi) fruit phenolics. Bioactive Compounds in Health and Disease-Online

2023 · External reference

10.5281/zenodo.17671776

10.5281/zenodo.17671776 · 2025 · External reference

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

10.1016/j.softx.2015.06.001 · 2015 · External reference

Fine tuning the optoelectronic properties of triphenylamine based donor molecules for organic solar cells

10.1515/zpch-2016-0790 · 2017 · External reference

A Comprehensive Theoretical Study of Anti-Epileptic Drug Design: DFT, TD-DFT, and Molecular Docking Approach

10.2174/0118715249350047250725120152 · 2025 · External reference

The neuroinflammatory role of microglia in Alzheimer's disease and their associated therapeutic targets

10.1111/cns.14856 · 2024 · External reference

Designing Three-dimensional (3D) Non-Fullerene Small Molecule Acceptors with Efficient Photovoltaic Parameters

10.1002/slct.201802732 · 2018 · External reference

Theoretical study of the antioxidant mechanism and structure-activity relationships of 1,3,4-oxadiazol-2-ylthieno[2,3-d]pyrimidin-4-amine derivatives: a computational approach

10.3389/fchem.2024.1443718 · 2024 · External reference

ProTox 3.0: a webserver for the prediction of toxicity of chemicals

10.1093/nar/gkae303 · 2024 · External reference

Unresolved reference

External reference

Unresolved reference

External reference

CHARMM: The biomolecular simulation program

10.1002/jcc.21287 · 2009 · External reference

Structures of human acetylcholinesterase in complex with pharmacologically important ligands

10.1021/jm300871x · 2012 · External reference

Small-molecule library screening by docking with PyRx. Methods in molecular biology

10.1007/978-1-4939-2269-7_19 · 2015 · External reference

Excitons in organic semiconductors

10.1016/j.synthmet.2011.04.003 · 2011 · External reference

A new commercially viable synthetic route for donepezil hydrochloride: anti-Alzheimer's drug

10.1248/cpb.58.1157 · 2010 · External reference

Development of new Alzheimer's disease drug candidates using donepezil as a key model

10.1002/ardp.202200398 · 2023 · External reference

Structural, Spectral, Pharmacokinetics Analysis (in-Silico), Drug-Likeness, NCI Analysis (ELF, LOL, IRI & DORI) & Molecular Docking Computations of 2-Hydroxy 2-Phenyl Acetophenone a DFT Approaches

10.1080/10406638.2024.2406931 · 2025 · External reference

Microglial Neuroinflammation in Alzheimer’s Disease: Mechanisms and Therapies

10.3390/jdad2030029 · 2025 · External reference

ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support

10.1093/nar/gkae236 · 2024 · External reference

Revisiting the Cholinergic Hypothesis in Alzheimer's Disease: Emerging Evidence from Translational and Clinical Research

10.14283/jpad.2018.43 · 2019 · External reference

VMD: Visual molecular dynamics

10.1016/0263-7855(96)00018-5 · 1996 · External reference

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study

10.1021/acsomega.0c00507 · 2020 · External reference

Designing novel Zn-decorated inorganic B12P12 nanoclusters with promising electronic properties: a step forward toward efficient CO2 sensing materials

10.1021/acsomega.0c01686 · 2020 · External reference

Theoretical Investigation of para Amino-Dichloro Chalcone Isomers. Part II: A DFT Structure–Stability Study of the FMO and NLO Properties

10.1021/acsomega.2c07148 · 2023 · External reference

Alzheimer’s Disease: From Molecular Mechanisms to Promising Therapeutic Strategies

10.3390/ijms26199444 · 2025 · External reference

Recent Advances in Donepezil Delivery Systems via the Nose-to-Brain Pathway

10.3390/pharmaceutics17080958 · 2025 · External reference

Drugs repurposing in the experimental models of Alzheimer’s disease

10.1007/s10787-024-01608-7 · 2025 · External reference

The Computational Study, 3D-QSAR, and Molecular Docking Study of 2-Amino 5-Methyl Pyridine

10.1080/10406638.2022.2028871 · 2023 · External reference

The amyloid cascade hypothesis: an updated critical review

10.1093/brain/awad159 · 2023 · External reference

DFT-Based Quantum Mechanical and Molecular Docking Investigation of Synthesized Flavokawain B and Its Derivatives

10.52568/001623/jcsp/47.01.2025 · 2025 · External reference

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

10.1021/acs.jctc.5b00935 · 2015 · External reference

Perylene diimide trimers based bulk heterojunction organic solar cells with efficiency over 7%

10.1002/aenm.201600060 · 2016 · External reference

A novel chlorinated small molecule donor for efficient binary and ternary all-small-molecule organic solar cells

10.1016/j.orgel.2022.106532 · 2022 · External reference

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

10.1063/5.0216272 · 2024 · External reference

Synthesis, kinetic evaluation and molecular docking studies of donepezil-based acetylcholinesterase inhibitors

10.1016/j.molstruc.2021.131425 · 2022 · External reference

Unresolved reference

2022 · External reference

ChemDraw 8 Ultra, Windows and Macintosh Versions

2004 · External reference

Alzheimer's Disease Puzzle: Delving into Pathogenesis Hypotheses

10.14336/ad.2023.0608 · 2024 · External reference

Thiophene-Hybridized Thiazole Scaffolds: Synthesis, Spectroscopic Characterization, DFT-Based NLO, NBO Property Exploration, Anticancer Screening and Molecular Docking Studies

10.1134/s0026893325600709 · 2026 · External reference

Evolution of Alzheimer’s Disease Therapeutics: From Conventional Drugs to Medicinal Plants, Immunotherapy, Microbiotherapy and Nanotherapy

10.3390/pharmaceutics17010128 · 2025 · External reference

Insights on synthetic strategies and structure-activity relationship of donepezil and its derivatives

10.1007/s00044-024-03186-3 · 2024 · External reference

Molecular electrostatic potentials: an effective tool for the elucidation of biochemical phenomena

10.1289/ehp.8561191 · 1985 · External reference

Computational approaches streamlining drug discovery

10.1038/s41586-023-05905-z · 2023 · External reference

Challenges and Approaches of Drugs Such as Memantine, Donepezil, Rivastigmine, and Aducanumab in the Treatment, Control and Management of Alzheimer's Disease

10.2174/1872208316666220302115901 · 2022 · External reference

Unresolved reference

2015 · External reference

An insight from computational approach to explore novel, high-affinity phosphodiesterase 10A inhibitors for neurological disorders

10.1080/07391102.2022.2141895 · 2023 · External reference

Computational and Spectroscopic Insights Into 4-Methoxychalcone as a Potential Acetylcholinesterase Inhibitor: A DFT and Molecular Docking Approach

10.1002/qua.70092 · 2025 · External reference

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

10.1002/adts.202500715 · 2025 · External reference

Development and validation of novel UV-spectrophotometric method for the estimation of donepezil in bulk and pharmaceutical dosage form

2015 · External reference

How to analyse a density of states

10.1016/j.mtelec.2022.100002 · 2022 · External reference

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

10.1002/jcc.21334 · 2010 · External reference

Benzimidazole bearing thiourea analogues: Synthesis, β-glucuronidase inhibitory potential and their molecular docking study

10.1016/j.molstruc.2022.133941 · 2022 · External reference

gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS

10.1021/acs.jctc.1c00645 · 2021 · External reference

Computational Approaches in Preclinical Studies on Drug Discovery and Development

10.3389/fchem.2020.00726 · 2020 · External reference

Recent advances in Alzheimer’s disease: mechanisms, clinical trials and new drug development strategies

10.1038/s41392-024-01911-3 · 2024 · External reference