Determinants of approved acetylcholinesterase inhibitor response outcomes in Alzheimer's disease: relevance for precision medicine in neurodegenerative diseases
Acetylcholinesterase inhibitors (ChEI) are the global standard of care for the symptomatic
treatment of Alzheimer's disease (AD) and show significant positive effects in …
treatment of Alzheimer's disease (AD) and show significant positive effects in …
[HTML][HTML] Simulation-based approaches for drug delivery systems: navigating advancements, opportunities, and challenges
I Salahshoori, M Golriz, MAL Nobre, S Mahdavi… - Journal of Molecular …, 2023 - Elsevier
Efficient drug delivery systems (DDSs) play a pivotal role in ensuring pharmaceuticals'
targeted and effective administration. However, the intricate interplay between drug …
targeted and effective administration. However, the intricate interplay between drug …
Synthesis and characterization of N4-substituted thiosemicarbazones: DNA/BSA binding, molecular docking, anticancer activity, ADME study and computational …
V Manakkadan, J Haribabu… - Journal of Molecular …, 2023 - Elsevier
A series of thiosemicarbazones with the general formula, R− CHdouble bondN− NH− C (S)−
R 1 [R= C 6 H 5 F & R 1= C 4 H 9 NO (TL1), R= C 8 H 10 O 2 & R 1= C 4 H 9 NO (TL2), R= C …
R 1 [R= C 6 H 5 F & R 1= C 4 H 9 NO (TL1), R= C 8 H 10 O 2 & R 1= C 4 H 9 NO (TL2), R= C …
Gigantol, a promising natural drug for inflammation: a literature review and computational based study
Gigantol, a bibenzyl compound extracted from various medicinal plants, has shown a
number of biological activities, making it an attractive candidate for potential medical …
number of biological activities, making it an attractive candidate for potential medical …
A New Molecular Structure and Computational Analyses: DFT Studies, NLO Properties, ADMET Predictions, Biological Targets, and Docking Experiments
S Şahin - Polycyclic Aromatic Compounds, 2023 - Taylor & Francis
In this study, synthesis, characterization, optical, and in silico medicinal properties of a Schiff
base compound, 4-((4, 5-difluoro-2-hydroxybenzylidene) amino)-1, 5-dimethyl-2-phenyl-2, 3 …
base compound, 4-((4, 5-difluoro-2-hydroxybenzylidene) amino)-1, 5-dimethyl-2-phenyl-2, 3 …
Novel antipyrine substituted 4-thiazolidinones: Synthesis, DNA binding and topoisomerase inhibition activities, and in-silico studies
E Bagdatli, S Mesci, T Yildirim - Journal of Molecular Structure, 2024 - Elsevier
In this study, we report the synthesis and characterization of novel 4-thiazolidinones
containing antipyrine (3a-e) derived from the starting compounds of Schiff bases (2a-e). The …
containing antipyrine (3a-e) derived from the starting compounds of Schiff bases (2a-e). The …
New 2H‐Chromene‐Based Hydrazone Derivatives as Promising Anti‐Breast Cancer Agents: Efficient Synthesis, Spectral Characterization, Molecular Docking, and …
B Shankar Panda, B Samanta… - …, 2024 - Wiley Online Library
A new series of 2H‐chromene‐based hydrazones (10 a–w, 12 a–d, and 14 a–d) were
efficiently synthesized by the reaction of substituted 2H‐chromene aldehydes (8 a–w) with …
efficiently synthesized by the reaction of substituted 2H‐chromene aldehydes (8 a–w) with …
Szeged-like topological descriptors and COM-polynomials for graphs of some Alzheimer's agents
In this study, we define Szeged-like topological coindices in which formulas are constructed
by a complement of a given graph. We introduce two new co-polynomials of two variables …
by a complement of a given graph. We introduce two new co-polynomials of two variables …
Investigations of 6-Fluoro-4-Oxo-3, 4-Dihydro-2H-Chromene-2-Carboxylic Acid by Quantum Computational, Spectroscopic, TD-DFT with Various Solvents and …
The density functional theory and vibrational spectroscopy investigation were carried out on
6-Fluoro-4-oxo-3, 4-dihydro-2H-chromene-2-carboxylic acid (FODHCC). The optimized …
6-Fluoro-4-oxo-3, 4-dihydro-2H-chromene-2-carboxylic acid (FODHCC). The optimized …
Hierarchical Virtual Screening of SARS-CoV-2 Main Protease Potential Inhibitors: Similarity Search, Pharmacophore Modeling, and Molecular Docking Study
H Mando, I Allous - Anti-Infective Agents, 2024 - ingentaconnect.com
Background: The outbreak of COVID-19 caused by severe acute respiratory syndrome
coronavirus2 (SARS-CoV-2) resulted in a widespread pandemic. Various approaches …
coronavirus2 (SARS-CoV-2) resulted in a widespread pandemic. Various approaches …