Enhanced in silico QSAR-based screening of butyrylcholinesterase inhibitors using multi-feature selection and machine learning.

• Tác giả: H Ashoka, M Prabha, D Sharmistha, R R Siva Kiran
• Ngôn ngữ: eng
• Thông tin xuất bản: England : SAR and QSAR in environmental research , 2025
• Bộ sưu tập: NCBI
• ID: 237035

Tóm tắt

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 effective butyrylcholinesterase inhibitors. The model employs multi-feature selection and feature learning, improving the in silico screening efficiency and accelerating drug discovery efforts. This study aims to integrate Human Intestinal Absorption (HIA) values of butyrylcholinesterase (BChE) target inhibitors and their 50% inhibitory concentration (IC