Inhibition of Astrocytic Histamine N-Methyltransferase as a Possible Target for the Treatment of Alzheimer's Disease

C Flores-Clemente, MI Nicolás-Vázquez… - Biomolecules, 2021 - mdpi.com
Alzheimer's disease (AD) represents the principal cause of dementia among the elderly.
Great efforts have been established to understand the physiopathology of AD. Changes in …

Interaction of α-cyperone with human serum albumin: Determination of the binding site by using Discovery Studio and via spectroscopic methods

Q Wang, J He, D Wu, J Wang, J Yan, H Li - Journal of Luminescence, 2015 - Elsevier
Abstract α-Cyperone, as the main constituent of Cyperus rotundus, is a sesquiterpene
ketone. In this work, LigandFit and CDOCKER docking programs of Discovery Studio 3.1 …

Identification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual …

E Pavadai, F El Mazouni, S Wittlin… - Journal of chemical …, 2016 - ACS Publications
Plasmodium falciparum dihydroorotate dehydrogenase (Pf DHODH), a key enzyme in the de
novo pyrimidine biosynthesis pathway, which the Plasmodium falciparum relies on …

[HTML][HTML] Pharmacophore modeling, virtual screening, and molecular docking studies for discovery of novel Akt2 inhibitors

J Fei, L Zhou, T Liu, XY Tang - International journal of medical …, 2013 - ncbi.nlm.nih.gov
Akt2 is considered as a potential target for cancer therapy. In order to find novel Akt2
inhibitors which have different scaffolds, structure-based pharmacophore model and 3D …

[图书][B] Chemometrics applications and research: QSAR in medicinal chemistry

AG Mercader, PR Duchowicz, PM Sivakumar - 2016 - books.google.com
This important new book provides innovative material, including peer-reviewed chapters
and survey articles on new applied research and development, in the scientifically important …

Docking simulations and spectroscopy of the interactions of ellagic acid and oleuropein with human serum albumin

J He, Q Wang, L Zhang, X Lin, H Li - Journal of luminescence, 2014 - Elsevier
The primary objective of this study is to evaluate the interactions of ellagic acid (EA) and
oleuropein (OLE) with human serum albumin (HSA). Plasma protein binding model …

Discovery of novel and highly potential inhibitors of glycogen synthase kinase 3-beta (GSK-3β) through structure-based pharmacophore modeling, virtual …

S Benghanem, F Mesli, HA Fatima Zohra… - Journal of …, 2024 - Taylor & Francis
Abstract The protein Glycogen Synthase Kinase 3-Beta (GSK-3β), is a promising therapeutic
target for treating various diseases such as neurodegenerative disorders, diabetes …

Biological Activity of Sporolides A and B from Salinispora tropica: in silico Target Prediction Using Ligand‐Based Pharmacophore Mapping and in vitro activity …

K Dineshkumar, V Aparna, KZ Madhuri… - Chemical biology & …, 2014 - Wiley Online Library
Sporolides A and B are novel polycyclic macrolides from the obligate marine actinomycetes,
Salinispora tropica. The unique and novel structure of sporolides makes them interesting …

Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer's disease

AB Gurung, K Aguan, S Mitra… - Journal of Biomolecular …, 2017 - Taylor & Francis
In Alzheimer's disease (AD), the level of Acetylcholine (ACh) neurotransmitter is reduced.
Since Acetylcholinesterase (AChE) cleaves ACh, inhibitors of AChE are very much sought …

Design and development of novel inhibitors of aldo-ketoreductase 1C1 as potential lead molecules in treatment of breast cancer

P Verma, MI Hassan, A Singh, IK Singh - Molecular and Cellular …, 2021 - Springer
Abstract Aldo–keto reductase 1C1 (AKR1C1) is a hydroxysteroid dehydrogenase, known to
inactivate the biologically active progesterone into its corresponding 20 α …