Results 81 to 90 of about 1,051,632 (234)
Environmental Toxicology, EarlyView.ABSTRACT Long‐term exposure to low‐dose food contact materials (FCMs) has raised concerns regarding developmental toxicity. In the present study, we prioritized FCMs with potential developmental toxicity using a weight‐of‐evidence computational model, which predicted 127 chemicals to be of high concern.
Chia‐Chi Ho +7 more
wiley +1 more source
3D-QSAR for binding constants of Β-cyclodextrin host-guest complexes by utilising spectrophores as molecular descriptors [PDF]
, 2019 The increasing use of cyclodextrins (CDs) as host-molecules for host-guest complexes and their remediation application in environmental science requires to establish easily accessible models of “quantitative structure-activity relationships” (QSARs) to ...
Cole, IS, Jeschke, S
core +1 more source
QSAR-3D/CoMFA em compostos imídicos com atividade antinociceptiva
Química Nova, 2013 Imide compounds have shown biological activity. These compounds can be easily synthesized with good yields. The objective of this paper was the rational planning of imides and sulfonamides with antinociceptive activity using the 3D-QSAR/CoMFA approach ...
Maria Elena Walter +2 more
doaj +1 more source
Scientific Reports, 2021 With the progressive and ever-increasing antibacterial resistance pathway, the need for novel antibiotic design becomes critical. Sulfonamides are one of the more effective antibiotics against bacteria.
Sheida Nasr Esfahani +5 more
doaj +1 more source
Pharmacology, Medicinal Chemistry, and Therapeutic Potential of Imidazoline Receptor Ligands
ChemMedChem, Volume 21, Issue 13, 14 July 2026.Building on the excellent review article by Dardonville and Rozas (2004), this paper summarizes the most representative ligands of imidazoline receptors (IR; I1, I2, and I3) and updates their pharmacological profiles. Although not exhaustive, it provides a solid starting point for understanding the significance of I2 IRs as promising therapeutic ...
Maria‐Eleni Kouridaki +2 more
wiley +1 more source
QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants [PDF]
, 2016 Quantitative structure–activity relationship model (QSAR models) is useful method for predicting antioxidant capacity of a molecule based on some chemical-physics properties.
Milenkovic, Dejan +4 more
core
aLTAG3D, un logiciel pour l'archivage 3D [PDF]
, 2020 " aLTAG3D est un logiciel libre offrant une interface utilisateur simple et efficace pour la génération d'archive à long terme de projets 3D. L'archive générée est immédiatement compatible avec les services du CINES
Consortium 3D SHS Team
core
3D-QSAR model for the prediction of some Cannabinoids Derivatives as possible agents Potential Anti Breast Cancer [PDF]
, 2019 Three-dimensional quantitative structure-activity relationship (3D-QSAR). CoMSIA methodology was applied to a series of cannabinoides molecules. For molecular alignment, the most important parameter of 3D-QSAR is the common structure (template) of all ...
Ricardo Vivas-Reyes (7821299)
core +1 more source
Chemical Biology &Drug Design, Volume 108, Issue 1, July 2026.Cynnamoyl benzylpiperazine was identified as drug‐like derivative of cinnarizine with anthelmintic activity against A. cantonensis. In this work, 15 out of 31 derivatives showed improved anthelmintic activity with increased solubility. A SAR study was carried out to determine the molecular features involved in such effect.
Bruna L. Lemes +10 more
wiley +1 more source
[Offres]DEV Soft Images 3D et datas [PDF]
, 2021 La mission consiste à créer des outils logiciels permettant d'intégrer, d'automatiser et d'optimiser la chaîne de traitement et de visualisation de l'imagerie numérique 3D et RTI (reflectance transformation imaging) à destination des experts et de la ...
Consortium 3D SHS Team
core