Results 201 to 210 of about 391,445 (298)

Preparation, Component Identification, and Antioxidant Activity of Anthocyanins From Punica granatum “Tunisia”

AgriFood: Journal of Agricultural Products for Food, EarlyView.
The preparation for Tunisian pomegranate anthocyanin extract. The molecular mechanisms underlying the antioxidant effects of these compounds were investigated using network pharmacology and molecular docking. Antioxidant activity was evaluated through DPPH, ABTS, and FRAP assays, whereas the effects on oxidative stress and inflammation were examined in
Jing Zhang, Xu‐han Yang, Meng‐qi Zhang, Xu Guo, Ning‐yang Li, Fang‐yu Long, Chao Liu   +6 more
wiley   +1 more source

Synthesis of some novel coumarin-based heterocycles, elucidation of their antifungal behavior, molecular docking and computational studies. [PDF]

Sci Rep
Ismail MF, Salem MAI, Marzouk MI, Mahmoud NFH, Abdullah NH, Gouda MAS.   +5 more
europepmc   +1 more source

Artificial Intelligence for Bone: Theory, Methods, and Applications

Advanced Intelligent Discovery, EarlyView.
Advances in artificial intelligence (AI) offer the potential to improve bone research. The current review explores the contributions of AI to pathological study, biomarker discovery, drug design, and clinical diagnosis and prognosis of bone diseases. We envision that AI‐driven methodologies will enable identifying novel targets for drugs discovery. The
Dongfeng Yuan, Haicang Zhang, Liping Tong, Di Chen   +3 more
wiley   +1 more source

Lanthanide-carbamazepine complexes: synthesis, spectroscopic characterization, DFT Insights, molecular docking, and biological evaluation. [PDF]

Sci Rep
Mohamed NS, Mohamed MMA, Shehata MR, Abdalla EM.   +3 more
europepmc   +1 more source

LLM‐Based Scientific Assistants for Knowledge Extraction: Which Design Choices Matter?

Advanced Intelligent Discovery, EarlyView.
A comprehensive framework for optimizing Large Language Models in domain‐specific applications is introduced. The LLM Playground integrates Prompt Engineering, knowledge augmentation, and advanced reasoning strategies to enable systematic comparison of architectures and base models.
David Exler, Manuel Raimann, Marc Münker, Maxim Rosin, Joaquin E. Urrutia Gómez, Christof M. Niemeyer, Markus Reischl, Luca Rettenberger   +7 more
wiley   +1 more source

QSAR-Guided Design of Serotonin Transporter Inhibitors Supported by Molecular Docking and Biased Molecular Dynamics. [PDF]

Pharmaceuticals (Basel)
Veselinović AM, Culletta G, Živković JV, Sunarić S, Mitić Ž, Roomi MS, Tutone M.   +6 more
europepmc   +1 more source

When Biology Meets Medicine: A Perspective on Foundation Models

Advanced Intelligent Discovery, EarlyView.
Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu, Yuxing Wang, Limin Zou, Jing Huang   +3 more
wiley   +1 more source

Study on the Molecular Mechanism of Interaction Between Perfluoroalkyl Acids and PPAR by Molecular Docking. [PDF]

Toxics
Wei R, Xiao H, Fu J, Luo Y, Wang P.
europepmc   +1 more source

Atypical Clinical Course of Griscelli Syndrome Type 2 With Primarily Neurologic Presentation and Adult‐Onset in a 46‐Year‐Old Male

American Journal of Medical Genetics Part A, EarlyView.
ABSTRACT Griscelli Syndrome Type 2 (GS2) is a rare autosomal recessive disorder caused by pathogenic mutations in the RAB27A gene. Typically, it is characterized by cutaneous hypopigmentation, immunodeficiency, with or without neurological abnormalities secondary to hemophagocytic lymphohistiocytosis (HLH). Without treatment, GS2 often results in fatal
Dzhoy Papingi, Michael Kutsche, Helena Lichtenfeld, Fanny Kortüm, Angela Abicht, Laura Herrmann, Theresia Herget   +6 more
wiley   +1 more source

Key bitterness compounds of cigar tobacco leaves and their molecular docking with human bitter receptors. [PDF]

Sci Rep
Yu G, Wu Y, Liu Z, Zhang X, Cao S, Hu Y, Sun J, Hou B, Jia X, Gong W, Li T.   +10 more
europepmc   +1 more source