Due to the diverse molecular structures of chemical compounds and their intricate biological pathways of toxicity, predicting their reproductive and developmental toxicity remains a challenge. Traditional Quantitative Structure-Activity Relationship ...
Journal of agricultural and food chemistry
May 24, 2025
Bioactive peptides are protein molecules known for their specific biological functions, offering promising applications across various fields including medicine, food, and cosmetics. Traditional approaches to the investigation of bioactive peptides t...
Topological indices are invariant quantitative metrics associated with a molecular graph, which characterize the bonding topology of a molecule. The main aim of analyzing topological indices is to summarize and transform chemical structural informati...
Glycyrrhiza glabra (G. glabra) phytocompounds have been reported to interact with neurological targets, including those implicated in epilepsy, and may modulate epilepsy-related targets. While substantial evidence supports their potential antiepilept...
The adsorption of biomolecules on the surface of nanomaterials (NMs) is a critical determinant of their behavior, toxicity, and efficacy in biological systems. Experimental testing of these phenomena is often costly or complicated. Computational appr...
Physical chemistry chemical physics : PCCP
Apr 30, 2025
The high doses of bone morphogenetic proteins (BMPs) cause undesired side effects in skeletal tissue regeneration. An alternative approach is to use the bioactive knuckle epitope domain of BMP-2 (BMP2-KEP) with an open-arm structure as part of the pr...
Gout, a prevalent arthritic disease, can be mitigated by adenosine deaminase (ADA) inhibitors that reduce uric acid production. In this study, the extraction process of rosmarinic acid (RA) from Perilla frutescens L. (P. frutescens) was optimized, an...
Carbonic anhydrases (CAs) are zinc-dependent metalloenzymes essential for sustaining physiological balance by facilitating the reversible conversion of carbon dioxide to its hydrated form. Their biological significance, coupled with their involvement...
Food research international (Ottawa, Ont.)
Apr 17, 2025
Astringency is a common sensory experience in the mouth, characterized by dryness, roughness, and puckering. Due to the inefficiency and expense of conventional astringency evaluation methods, the quantitative structure-activity relationship (QSAR) m...
Alga toxins have recently emerged as environmental risk factors to multiple human health issues. Mitochondrial toxicity is an essential element in the field of ecotoxicology, it is necessary to screen and manage mitochondrial toxicants from common al...
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