ArticlePharmaceuticals (Basel, Switzerland)2024
An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE.
Article in Pharmaceuticals (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- In Vitro Experimental and Computational Studies of the Vasorelaxant Effects of Quinazolin-4(3Current issues in molecular biology · 2026Article
- Antioxidant and Antimicrobial Activities of Essential Oil Extracted from Leaves of African Boxthorn (Molecules (Basel, Switzerland) · 2026Article
- Development of Novel Inhibitors for Alzheimer's Disease fromACS omega · 2026Article
- In Silico Design of Pyrimidine Derivatives as Potential α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Studies.International journal of molecular sciences · 2026Article
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- Integrated Computational Investigation ofPharmaceuticals (Basel, Switzerland) · 2026Article
- Innovative approaches in acetylcholinesterase inhibition: a pathway to effective Alzheimer's disease treatment.Molecular diversity · 2025Review
- Design, Synthesis, and Evaluation of Pyrrole-Based Selective MAO-B Inhibitors with Additional AChE Inhibitory and Neuroprotective Properties Identified via Virtual Screening.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Computational Exploration of Bacterial Compounds Targeting Arginine-Specific Mono-Adp-Ribosyl-Transferase 1 (Art1): A Pathway to Novel Therapeutic Anticancer Strategies.Current issues in molecular biology · 2025Article
- Structural Bioinformatics Applied to Acetylcholinesterase Enzyme Inhibition.International journal of molecular sciences · 2025Review
- Moroccan natural products for multitarget-based treatment of Alzheimer's disease: A computational study.PloS one · 2025Article
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- Quinazoline-2,4(1H,3H)-dione derivatives as new class of CB1 Agonists: A pharmacophore-based virtual screening workflow and drug discovery.F1000Research · 2025Article
- Exploring the Pharmacological Potential of Carrageenan Disaccharides as Antitumor Agents: An In Silico Approach.Marine drugs · 2024Article
- Synthesis and Structure-Activity Relationship (SAR) Studies on New 4-Aminoquinoline-Hydrazones and Isatin Hybrids as Promising Antibacterial Agents.Molecules (Basel, Switzerland) · 2024Article
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Authors and funding
7 authors.
Funding
Abstract
Acetylcholinesterase (AChE) is one of the main drug targets for treating Alzheimer's disease. This current study relies on multiple molecular modeling approaches to develop new potent inhibitors of AChE. We explored a 2D QSAR study using the statistical method of multiple linear regression based on a set of substituted 5-phenyl-1,3,4-oxadiazole and N-benzylpiperidine analogs, which were recently synthesized and proved their inhibitory activities against acetylcholinesterase (AChE). The molecular descriptors, polar surface area, dipole moment, and molecular weight are the key structural properties governing AChE inhibition activity. The MLR model was selected based on its statistical parameters: R
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