Recent advances in the multitarget‐directed ligands approach for the treatment of Alzheimer's disease

R Leon, AG Garcia… - Medicinal research …, 2013 - Wiley Online Library
With 27 million cases worldwide documented in 2006, Alzheimer's disease (AD) constitutes
an overwhelming health, social, economic, and political problem to nations. Unless a new …

Targeting acetylcholinesterase to treat neurodegeneration

U Holzgrabe, P Kapková, V Alptüzün… - Expert opinion on …, 2007 - Taylor & Francis
Neurodegenerative disorders, such as Alzheimer's disease, are often characterised by the
degeneration of the cholinergic system. Thus, the aim of many treatment regimens is to …

DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism

EW Bell, Y Zhang - Journal of cheminformatics, 2019 - Springer
Abstract Comparison of ligand poses generated by protein–ligand docking programs has
often been carried out with the assumption of direct atomic correspondence between ligand …

DeepDTAF: a deep learning method to predict protein–ligand binding affinity

K Wang, R Zhou, Y Li, M Li - Briefings in Bioinformatics, 2021 - academic.oup.com
Biomolecular recognition between ligand and protein plays an essential role in drug
discovery and development. However, it is extremely time and resource consuming to …

Promoting active sites in MOF-derived homobimetallic hollow nanocages as a high-performance multifunctional nanozyme catalyst for biosensing and organic …

S Li, Y Hou, Q Chen, X Zhang, H Cao… - ACS applied materials …, 2019 - ACS Publications
Nanozymes are one of the ideal alternatives to natural enzymes for various applications.
The rational design of nanozymes with improved catalytic activity stimulates increasing …

Bioinspired Dual Hemin-Bonded G-Quadruplex and Histidine-Functionalized Metal–Organic Framework for Sensitive Biosensing

X Mao, Q Chen, S Wei, D Qiu, X Zhang, J Lei… - Analytical …, 2024 - ACS Publications
Biomimetic enzymes have emerged as ideal alternatives to natural enzymes, and there is
considerable interest in designing biomimetic enzymes with enhanced catalytic performance …

Efficacy and safety of natural acetylcholinesterase inhibitor huperzine A in the treatment of Alzheimer's disease: an updated meta-analysis

B Wang, H Wang, Z Wei, Y Song, L Zhang… - Journal of neural …, 2009 - Springer
The objective of this study was to provide an updated meta-analysis of the efficacy and
safety of huperzine A (HupA) in Alzheimer's disease (AD). We searched for randomized …

Can herbs provide a new generation of drugs for treating Alzheimer's disease?

TS Anekonda, PH Reddy - Brain research reviews, 2005 - Elsevier
The overall aim of this review is to discuss cellular mechanisms at work in the progression of
AD and current therapeutic strategies for treating AD, with a focus on the potential efficacy of …

Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2, 5-dichlorothiophen-3-yl)-3 …

S SangeethaMargreat, S Ramalingam… - Chemical Data …, 2021 - Elsevier
Abstract The compound (E)-1-(2, 5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one
(DClTP) was synthesized and analyzed using FT-IR, FT-Raman and 1 H and 13 C NMR …

Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics

Y Xu, JP Colletier, M Weik, H Jiang, J Moult, I Silman… - Biophysical …, 2008 - cell.com
The high aromatic content of the deep and narrow active-site gorge of acetylcholinesterase
(AChE) is a remarkable feature of this enzyme. Here, we analyze conformational flexibility of …