[HTML][HTML] Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of …
Butyrylcholinesterase is an acetylcholine-degrading enzyme involved in the memorization
process, which is becoming an interesting target for the symptomatic treatment of …
process, which is becoming an interesting target for the symptomatic treatment of …
Design of Acetylcholinesterase Inhibitors as Promising Anti‐Alzheimer's Agents Based on QSAR, Molecular Docking, and Molecular Dynamics Studies of …
Cholinesterase inhibitors are promising drugs for the symptomatic treatment of Alzheimer's
disease. In the current study, we explored the quantitative structure activity relationship …
disease. In the current study, we explored the quantitative structure activity relationship …
Molecular docking, ADME-Tox, DFT and molecular dynamics simulation of butyroyl glucopyranoside derivatives against DNA gyrase inhibitors as antimicrobial agents
The emergence of antibiotic resistance highlights the critical need for novel antimicrobial
agents. In this study, we investigated the synthesis of methyl α-D-glucopyranoside (1) …
agents. In this study, we investigated the synthesis of methyl α-D-glucopyranoside (1) …
In silico evaluation of usnic acid derivatives to discover potential antibacterial drugs against DNA gyrase B and DNA topoisomerase IV
Due to the rising increase in infectious diseases brought on by bacteria and anti-bacterial
drug resistance, antibacterial therapy has become difficult. The majority of first-line …
drug resistance, antibacterial therapy has become difficult. The majority of first-line …
[HTML][HTML] In silico and in vivo anti-inflammatory effect of eugenol and acetyleugenol
The aim of this study is to assess the anti-inflammatory effects of volatile compounds derived
from clove bud in vivo and in silico. Clove bud essential oil was obtained through …
from clove bud in vivo and in silico. Clove bud essential oil was obtained through …
Synthesis, antimicrobial activity, molecular docking, molecular dynamics simulation, and ADMET properties of the mannopyranoside derivatives as antimicrobial …
Multiple diseases are treated with carbohydrate-based medicinal products worldwide. Direct
regioselective acylation of methyl α-D-mannopyranoside (MDMP) derivatives 2-6 afforded …
regioselective acylation of methyl α-D-mannopyranoside (MDMP) derivatives 2-6 afforded …
Screening of the Active Substances for the Assessment of Walnut Kernel in the Treatment of Scopolamine‐Induced AD Animals
X Xu, Y Song, M Jiang, M Liu, X Zhang… - Molecular Nutrition & …, 2024 - Wiley Online Library
Scope Alzheimer's disease (AD) has been a challenge and hotspot in the field of
neuroscience research due to the high morbidity. As we all know, walnut kernel (WK) …
neuroscience research due to the high morbidity. As we all know, walnut kernel (WK) …
In-silico design novel phenylsulfonyl furoxan and phenstatin derivatives as multi-target anti-cancer inhibitors based on 2D-QSAR, molecular docking, dynamics and …
A Guendouzi, L Belkhiri, F Djelti, ZM Zendaoui… - Molecular …, 2024 - Taylor & Francis
ABSTRACT A series of 31 hybrid of phenylsulfonyl furoxan and phenstatin (1a-j, 2a-j, 3a-j, 4
and 5) derivatives, were computationally studied as potential anti-cancer inhibitors against …
and 5) derivatives, were computationally studied as potential anti-cancer inhibitors against …
[HTML][HTML] QSAR modelling, molecular docking, molecular dynamic and ADMET prediction of pyrrolopyrimidine derivatives as novel Bruton's tyrosine kinase (BTK) …
In recent years, there has been a focus on developing and discovering novel Bruton's
tyrosine kinase (BTK) inhibitors, as they offer an effective treatment strategy for B-cell …
tyrosine kinase (BTK) inhibitors, as they offer an effective treatment strategy for B-cell …
In silico approach for designing novel SARS-CoV-2 inhibitors from medicinal plants
Medicinal plants belonging to Cameroon flora, could be a source for the discovery of
potential inhibitors of SARS-CoV-2. These two proteins play a pivotal role in mediating viral …
potential inhibitors of SARS-CoV-2. These two proteins play a pivotal role in mediating viral …