Titre : Déontologie médicale

Déontologie médicale : Questions médicales fréquentes

Termes MeSH sélectionnés :

Quantitative Structure-Activity Relationship
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Sources (10000 au total)

Virtual screening, identification, and potential antioxidant mechanism of novel bioactive peptides during aging by a short-chain peptidomics, quantitative structure-activity relationship analysis, and molecular docking.

Antioxidant peptides have received a great deal of attention. However, only a few studies have been conducted on the antioxidant peptides originating from Baijiu. A total of 1490 features deemed poten...

Computational characteristics of the structure-activity relationship of inhibitors targeting Pks13-TE domain.

Multiple studies have established the Pks13-TE domain as a promising target for anti-tuberculosis drug development. However, recent findings have revealed that the lead compound currently in the pipel...

Prediction of antioxidant peptides using a quantitative structure-activity relationship predictor (AnOxPP) based on bidirectional long short-term memory neural network and interpretable amino acid descriptors.

Antioxidant peptides can protect against free radical-mediated diseases, especially food-derived antioxidant peptides are considered as potential competitors among synthetic antioxidants due to their ...

Amorphous zirconium oxide activates peroxymonosulfate for selective degradation of organic compounds: Performance, mechanisms and structure-activity relationship.

Application of heterogeneous advanced oxidation processes (AOPs) for wastewater treatment suffers from the low oxidant utilization efficiency, slow catalytic cycling and severe matrix interference. He...

Risk assessment of the asthma-induction potential of substances in spray products for car cabin detailing - based on EU's Chemical Agents Directive, using harmonised classifications and quantitative structure-activity relationship (QSAR).

Exposure to spray-formulated products for car cabin detailing is a potential risk for asthma induction. With a focus on the asthma-related endpoints sensitisation and irritation of the lungs, we perfo...

Structure-activity relationships of dihydropyrimidone inhibitors against native and auto-processed human neutrophil elastase.

Human neutrophil elastase (HNE) is a key driver of systemic and cardiopulmonary inflammation. Recent studies have established the existence of a pathologically active auto-processed form of HNE with r... AutoDock Vina v1.2.0 and Cresset Forge v10 software were used to develop a 3D-QSAR model for a series of 47 DHPI inhibitors. Molecular Dynamics (MD) simulations were carried out using AMBER v18 to stu... The DHPI inhibitors occupy the S1 and S2 subsites of scHNE. The robust 3D-QSAR model showed acceptable predictive and descriptive capability with regression coefficient of r... SAR insights gained from this study will aid the future development of inhibitors active against both forms of HNE....

C-6 fluorinated casuarines as highly potent and selective amyloglucosidase inhibitors: Synthesis and structure-activity relationship study.

A series of C-6 fluorinated casuarine derivatives have been synthesized via organocatalytic stereoselective α-fluorination of iminosugar-based aldehydes or direct nucleophilic fluorination of polyhydr...