Results 111 to 120 of about 36,144 (247)
Journal of the Science of Food and Agriculture, Volume 106, Issue 13, Page 7735-7746, October 2026.Abstract BACKGROUND Abelmoschus sagittifolius stands out as a valuable medicinal source for developing functional food targeting type 2 diabetes. This study investigated the α‐glucosidase inhibitory potential of an active fraction obtained from A. sagittifolius roots (ASR), enriched in (9Z)‐5,8,11‐trihydroxyoctadec‐9‐enoic acid (OA), using both enzyme ...
Nguyen Phuong Mai +3 more
wiley +1 more source
, 2015 Core Electron Binding Energies (CEBEs) of ring carbon atoms in 4-X-phenols were calculated using density-functional theory with the scheme Delta E-KS (PW86-PW91)/TZP//HF/ 6-31G*. The phenols show toxicity to fast growing cells.
Arakawa, M +4 more
core +1 more source
Uncertainty in QSAR Predictions
Alternatives to Laboratory Animals, 2013 It is relevant to consider uncertainty in individual predictions when quantitative structure–activity (or property) relationships (QSARs) are used to support decisions of high societal concern. Successful communication of uncertainty in the integration of QSARs in chemical safety assessment under the EU Registration, Evaluation, Authorisation and ...
openaire +2 more sources
Rare Metals, Volume 45, Issue 10, October 2026.ABSTRACT The pollution caused by antibiotics to aquatic ecosystems is becoming increasingly serious, thus more effective treatment methods are urgently required. Although the photocatalytic degradation behavior of tetracycline (TC) is relatively well understood, sulfamethoxazole (SMZ), an emerging pollutant originating from large‐scale livestock ...
Yihang Yang +6 more
wiley +1 more source
, 2012 A QSAR analysis has been carried out of the toxicity of 47 mono-substituted nitrobenzenes to the aquatic ciliate Tetrahymena pyriformis. The single most important parameter was the logarithm of the apparent partition coefficient (logD) at pH 7.35. 2- and
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, 2019 Citation: 'QSAR' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.Q04966 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms. Requests for commercial usage of
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Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.A medicinal plant Eriosema glomeratum has potentially lead compounds, erioschalcones A and B, and their semisynthetic derivatives for drug discovery. ABSTRACT Plants are sources of compounds with benefits in human health and animal well‐being. Plant‐based foods may contain huge numbers of different phytochemicals.
Gaétan Tchangou Tabakam +1 more
wiley +1 more source
Data mining methods for the prediction of intestinal absorption using QSAR [PDF]
, 2014 Oral administration is the most common route for administration of drugs. With the growing cost of drug discovery, the development of Quantitative Structure-Activity Relationships (QSAR) as computational methods to predict oral absorption is highly ...
Newby, Danielle Anne
core
QSAR models for antioxidant activity of new coumarin derivatives
, 2015 This study presents 37 new antioxidant coumarin derivatives and strategies for structural modification to improve their antioxidant activities, the main ferric-reducing antioxidant power (FRAP) assay used to evaluate their antioxidant properties and the ...
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Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.In vitro anti‐inflammatory activity of sour cherry (Prunus cerasus L.) seed oil and computational safety profiling. ABSTRACT This study aimed to evaluate the in vitro anti‐inflammatory activity of sour cherry seed oils, including samples obtained by Soxhlet extraction and maceration, as well as ten commercial samples.
Tuğba Aydin +4 more
wiley +1 more source