Microplastics derived from food packaging waste—Their origin and health risks
K Kadac-Czapska, E Knez, M Gierszewska… - Materials, 2023 - mdpi.com
Plastics are commonly used for packaging in the food industry. The most popular
thermoplastic materials that have found such applications are polyethylene (PE) …
thermoplastic materials that have found such applications are polyethylene (PE) …
Interaction of mancozeb with human hemoglobin: Spectroscopic, molecular docking and molecular dynamic simulation studies
Mancozeb is a broad-spectrum fungicide used extensively in agriculture to protect plants
from numerous diseases. Hemolysis of human erythrocytes on exposure to mancozeb has …
from numerous diseases. Hemolysis of human erythrocytes on exposure to mancozeb has …
2D‐QSAR and molecular docking studies of carbamate derivatives to discover novel potent anti‐butyrylcholinesterase agents for Alzheimer's disease treatment
Abstract Currently, anti‐butyrylcholinesterase (anti‐BuChE) is among the greatest
therapeutic agents for the treatment of Alzheimer's disease. In this research, a series of 36 …
therapeutic agents for the treatment of Alzheimer's disease. In this research, a series of 36 …
QSAR modeling, molecular docking, ADMET prediction and molecular dynamics simulations of some 6-arylquinazolin-4-amine derivatives as DYRK1A inhibitors
Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) is a protein kinase
with diverse functions in neuronal development and adult brain physiology. QSAR study was …
with diverse functions in neuronal development and adult brain physiology. QSAR study was …
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 …
Effect of Date Palm (Phoenix dactylifera) Phytochemicals on Aβ1−40 Amyloid Formation: An in-silico Analysis
Alzheimer's disease (AD) is a neurodegenerative disease and the most prevalent form of
dementia. The generation of oxygen free radicals and oxidative damage is believed to be …
dementia. The generation of oxygen free radicals and oxidative damage is believed to be …
Physicochemical evaluation of interaction behavior of a series of biocompatible gemini surfactants with hemoglobin: Insights from spectroscopic and computational …
In this study, we investigated the interaction behavior of biodegradable, cationic, oxy-diester
functionalized gemini surfactants N 1, N 1, N 14, N 14-tetramethyl-2, 13-dioxo-N 1, N 14 …
functionalized gemini surfactants N 1, N 1, N 14, N 14-tetramethyl-2, 13-dioxo-N 1, N 14 …
Interaction of the insecticide bioallethrin with human hemoglobin: biophysical, in silico and enzymatic studies
Bioallethrin is an insecticide that is widely used in households resulting in human exposure.
Bioallethrin is cytotoxic to human erythrocytes. Here we have studied the interaction of …
Bioallethrin is cytotoxic to human erythrocytes. Here we have studied the interaction of …
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 …
Molecular interaction of di-ester bonded cationic Gemini surfactants with pepsin: in vitro and in silico perspectives
The implications of surfactant–enzyme/protein interactions in a variety of fields, including
biotechnology, cosmetics, paints and pharmaceuticals, have attracted a lot of attention in …
biotechnology, cosmetics, paints and pharmaceuticals, have attracted a lot of attention in …