Chemical communications (Cambridge, England)
35225993
In this work, a pendant droplet-based sensor is developed for the rapid and label-free detection of acetylcholinesterase (AChE) and its inhibitors. The detection limit of AChE reaches 0.17 mU mL. The pIC values of AChE inhibitors such as neostigmine,...
International journal of molecular sciences
37762462
Fullerene derivatives (FDs) are widely used in nanomaterials production, the pharmaceutical industry and biomedicine. In the present study, we focused on the potential toxic effects of FDs on the aquatic environment. First, we analyzed the binding af...
Journal of chemical information and modeling
38532612
Butyrylcholinesterase (BChE) is a target of interest in late-stage Alzheimer's Disease (AD) where selective BChE inhibitors (BIs) may offer symptomatic treatment without the harsh side effects of acetylcholinesterase (AChE) inhibitors. In this study,...
Expanding target pesticide species and intelligent pesticide recognition were formidable challenges for existing cholinesterase inhibition methods. To improve this status, multi-active Mel-Cu nanozyme with mimetic Cu-N sites was prepared for the firs...
Journal of molecular graphics & modelling
39561662
Acetylcholinesterase (AChE) is one of the most successful targets for the treatment of Alzheimer's disease (AD). Inhibition of AChE can result in preventing AD. In this context, the machine-learning (ML) model, molecular docking, and molecular dynami...
In this work, artificial neural network coupled with multi-objective genetic algorithm (ANN-NSGA-II) has been used to develop a model and optimize the conditions for the extracting of the Mentha longifolia (L.) L. plant. Input parameters were extract...
Neurotoxicity is frequently observed in the global aquatic environment, threatening aquatic ecosystems and human health. However, a very limited proportion of neurotoxic effects (∼1%) has been explained by known chemicals of concern. Here, we integra...
Butyrylcholinesterase inhibition offers one of the formulated solutions to tackle the aggravating symptoms of dementia that downgrades to cholinergic neuronal loss in Alzheimer's disease. We developed a QSAR model to facilitate the identification of ...
In this study, the biological activities of Otidea onotica were investigated using two optimization methods, Response Surface Methodology (RSM) and Artificial Neural Network-Genetic Algorithm (ANN-GA). The extracts were tested for phenolic content, a...
In this study, the biological activities of the extracts obtained under optimum extraction conditions of the kernel part of Juglans regia L. were determined. Two different methods, Response Surface Method (RSM) and Artificial Neural Network-Genetic A...