Computer-aided drug design towards new psychotropic and neurological drugs

G Dorahy, JZ Chen, T Balle - Molecules, 2023 - mdpi.com
Central nervous system (CNS) disorders are a therapeutic area in drug discovery where
demand for new treatments greatly exceeds approved treatment options. This is complicated …

[HTML][HTML] Advances in small molecule selective ligands for heteromeric nicotinic acetylcholine receptors

C Matera, C Papotto, C Dallanoce… - Pharmacological Research, 2023 - Elsevier
The study of nicotinic acetylcholine receptors (nAChRs) has significantly progressed in the
last decade, due to a) the improved techniques available for structural studies; b) the …

Computational approaches for drug discovery

S Brogi - Molecules, 2019 - mdpi.com
Computational approaches represent valuable and essential tools in each step of the drug
discovery and development trajectory. Several computational methodologies are suitable to …

Using a Caenorhabditis elegans Parkinson's Disease Model to Assess Disease Progression and Therapy Efficiency

S Hughes, M van Dop, N Kolsters, D van de Klashorst… - Pharmaceuticals, 2022 - mdpi.com
Despite Parkinson's Disease (PD) being the second most common neurodegenerative
disease, treatment options are limited. Consequently, there is an urgent need to identify and …

Scaffold searching of FDA and EMA-approved drugs Identifies lead candidates for drug repurposing in Alzheimer's Disease

S Shityakov, EV Skorb, CY Förster… - Frontiers in Chemistry, 2021 - frontiersin.org
Clinical trials of novel therapeutics for Alzheimer's Disease (AD) have consumed a
significant amount of time and resources with largely negative results. Repurposing drugs …

Gut-brain axis and neurodegeneration: mechanisms and therapeutic potentials

KJ Park, Y Gao - Frontiers in Neuroscience, 2024 - frontiersin.org
This paper reviews the effects of gut microbiota in regulating neurodegenerative diseases
through controlling gut-brain axis. Specific microbial populations and their metabolites (short …

Rational design of novel benzisoxazole derivatives with acetylcholinesterase inhibitory and serotoninergic 5-HT4 receptors activities for the treatment of Alzheimer's …

J Lalut, H Payan, A Davis, C Lecoutey, R Legay… - Scientific Reports, 2020 - nature.com
A rigidification strategy was applied to the preclinical candidate donecopride, an
acetylcholinesterase inhibitor possessing 5-HT4R agonist activity. Inspired by promising …

Multi-target-directed-ligands acting as enzyme inhibitors and receptor ligands

DA Rodríguez-Soacha, M Scheiner… - European Journal of …, 2019 - Elsevier
In this review, we present the latest advances in the field of multi-target-directed ligand
(MTDL) design for the treatment of various complex pathologies of multifactorial origin. In …

Targeting ion channels with ultra-large library screening for hit discovery

K Melancon, P Pliushcheuskaya, J Meiler… - Frontiers in Molecular …, 2024 - frontiersin.org
Ion channels play a crucial role in a variety of physiological and pathological processes,
making them attractive targets for drug development in diseases such as diabetes, epilepsy …

Functional characterization of multifunctional ligands targeting acetylcholinesterase and alpha 7 nicotinic acetylcholine receptor

M Cieslikiewicz-Bouet, M Naldi, M Bartolini… - Biochemical …, 2020 - Elsevier
Alzheimer's disease (AD) is a neurodegenerative disorder associated with cholinergic
dysfunction, provoking memory loss and cognitive dysfunction in elderly patients. The …