Structure and therapeutic uses of butyrylcholinesterase: application in detoxification, Alzheimer's disease, and fat metabolism

S Xing, Q Li, B Xiong, Y Chen, F Feng… - Medicinal Research …, 2021 - Wiley Online Library
Structural information of butyrylcholinesterase (BChE) and its variants associated with
several diseases are discussed here. Pure human BChE has been proved safe and effective …

A comprehensive review of cholinesterase modeling and simulation

D De Boer, N Nguyen, J Mao, J Moore, EJ Sorin - Biomolecules, 2021 - mdpi.com
The present article reviews published efforts to study acetylcholinesterase and
butyrylcholinesterase structure and function using computer-based modeling and simulation …

Synthesis, vibrational analysis, molecular property investigation, and molecular docking of new benzenesulphonamide-based carboxamide derivatives against …

UD Izuchukwu, FC Asogwa, H Louis… - Journal of Molecular …, 2022 - Elsevier
Zinc chloride mediated synthesis, density functional theory (DFT) studies and molecular
docking of new carboxamide derivatives containing sulphonamide functionality is reported …

Molecular docking and investigation of 4-(benzylideneamino)-and 4-(benzylamino)-benzenesulfonamide derivatives as potent AChE inhibitors

M Işık, Y Demir, M Durgun, C Türkeş, A Necip… - Chemical Papers, 2020 - Springer
The discovery of acetylcholinesterase inhibitors is important for the treatment of Alzheimer's
disease (AD), known as the most common type of dementia. Due to the side effects of …

Computer-aided analysis of phytochemicals as potential dengue virus inhibitors based on molecular docking, ADMET and DFT studies

I Qaddir, N Rasool, W Hussain… - Journal of vector borne …, 2017 - journals.lww.com
Methods: A total of 2750 phytochemicals from different medicinal plants were selected for
this study. These plants grow naturally in the climate of Pakistan and India and have been …

Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation

N Kumbhar, S Nimal, S Barale, S Kamble, R Bavi… - Scientific Reports, 2022 - nature.com
In the landscape of epigenetic regulation, histone deacetylase 3 (HDAC3) has emerged as a
prominent therapeutic target for the design and development of candidate drugs against …

Predictions of BuChE inhibitors using support vector machine and naive Bayesian classification techniques in drug discovery

J Fang, R Yang, L Gao, D Zhou, S Yang… - Journal of chemical …, 2013 - ACS Publications
Butyrylcholinesterase (BuChE, EC 3.1. 1.8) is an important pharmacological target for
Alzheimer's disease (AD) treatment. However, the currently available BuChE inhibitor …

Exploiting butyrylcholinesterase inhibitors through a combined 3-D pharmacophore modeling, QSAR, molecular docking, and molecular dynamics investigation

S Kumar, A Manoharan, J Jayalakshmi… - RSC …, 2023 - pubs.rsc.org
Alzheimer's disease (AD), a neurodegenerative condition associated with ageing, can occur.
AD gradually impairs memory and cognitive function, which leads to abnormal behavior …

[HTML][HTML] Baicalein suppresses lipopolysaccharide-induced acute lung injury by regulating Drp1-dependent mitochondrial fission of macrophages

C Jiang, J Zhang, H Xie, H Guan, R Li, C Chen… - Biomedicine & …, 2022 - Elsevier
Acute lung injury (ALI) and its serious form, the acute respiratory distress syndrome (ARDS)
are devastating diseases without effective chemotherapy. Exuberant or uncontrolled …

Homology modeling of DFG-in FMS-like tyrosine kinase 3 (FLT3) and structure-based virtual screening for inhibitor identification

YY Ke, VK Singh, MS Coumar, YC Hsu, WC Wang… - Scientific reports, 2015 - nature.com
The inhibition of FMS-like tyrosine kinase 3 (FLT3) activity using small-molecule inhibitors
has emerged as a target-based alternative to traditional chemotherapy for the treatment of …