Results 111 to 120 of about 185,227,745 (225)

Beyond monofunctionality: structural perspectives on phenol oxidase side activity in a catalase

Acta Crystallographica Section D, Volume 82, Issue 11, Page 1224-1239, November 2026.
Structural and biochemical characterization of the extracellular fungal catalase ClCPO uncovers an unexpected phenol oxidase promiscuity. Crystal structures, substrate docking and electron‐transfer pathway analysis identify ligand‐binding regions and support a working mechanistic model for catalase‐associated phenol oxidase activity.Catalases are ...
Christina Ferousi, Christos Kosinas, Odyssefs Ioannis Pantelakis, Efstratios Nikolaivits, Evangelos Topakas, Maria Dimarogona   +5 more
wiley   +1 more source

Computational renaissance in herbal medicine: A 20-year bibliometric deciphering of molecular dynamics simulations reshaping traditional Chinese medicine drug discovery

Saudi Pharmaceutical Journal
Molecular dynamics (MD) simulations have emerged as pivotal tools for deciphering the molecular mechanisms of Traditional Chinese Medicine (TCM), yet a comprehensive analysis of their global impact has not been conducted.
Liming Ye, Yawei Liu, Xuetao Peng, Minyi He   +3 more
doaj   +1 more source

Per- and polyfluoroalkyl substances (PFAS) and cancer: knowledge mapping and emerging trends based on a bibliometric analysis

Frontiers in Oncology
ObjectivesTo systematically map the global publication landscape, collaboration patterns, thematic structure, and emerging research activity in the literature on per- and polyfluoroalkyl substances (PFAS) and cancer.MethodsA systematic bibliometric ...
Siyin Liu, Guoqing Zhang, Meijing Wang, Jiaguo Huang   +3 more
doaj   +1 more source

Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar [PDF]

, 2011
Four Ganoderic acids (á, B, C1 H) were studied using molecular docking approach. Both reverse molecular docking and molecular docking were combined to elucidate suitable target(s) for these Ganoderic acids. Outcomes from molecular docking were compared
Akbar, Rahmad
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Defining the conformational landscape of glycogen synthase kinase 3 beta (GSK3β)

Acta Crystallographica Section D, Volume 82, Issue 11, Page 1285-1297, November 2026.
This article presents a systematic structural curation of all deposited GSK3β crystal structures to map its conformational ensemble, revealing eight distinct conformational states.Glycogen synthase kinase 3 beta (GSK3β) is a serine/threonine kinase implicated in Alzheimer's disease, type 2 diabetes, oncology and bipolar disorder, and represents an ...
Akanksha Gurtu, Fernanda Laezza
wiley   +1 more source

Global Trends and Research Hotspots in Natural Products for Hyperuricemia: A Bibliometric Analysis (2004–2026)

Pharmaceuticals
Hyperuricemia (HUA) is a key pathological basis for gout and uric acid (UA) nephropathy, and its increasing global prevalence presents a substantial public health challenge. Natural products (NPs) have emerged as a research hotspot due to their potential
Shuang Pan, Yumo Li, Zhi Lin, Zhe Lin, He Lin, Ying Lv   +5 more
doaj   +1 more source

Fragment‐based active‐site exploration of urethane hydrolases reveals a diversity of urethane binding modes

Acta Crystallographica Section D, Volume 82, Issue 11, Page 1298-1317, November 2026.
Fragment‐based active‐site exploration of urethanases was performed to elucidate polyurethane binding and cleavage.Recent advances in the discovery, characterization and engineering of urethanases provide new opportunities for the sustainable biocatalytic degradation of polyurethane waste.
Deniz Bicer, Diana Kochubei, Rosie Graham, Samuel Peña-Díaz, Laura Rotilio, Nikolaj L. Villadsen, Andreas Sommerfeldt, Martin B. Johansen, Alexander Sandahl, Søren S. Thirup, J. Preben Morth, Daniel E. Otzen   +11 more
wiley   +1 more source

The reproducibility gap in graph neural network workflows for cell dynamics: A checklist‐driven case study

Journal of Microscopy, Volume 304, Issue 2, Page 116-126, November 2026.
Abstract As part of a Global BioImage Analysts' Society (GloBIAS) initiative, we evaluated the reproducibility of a Graph Neural Network (GNN) study on cell dynamics using structured, community‐developed checklists from the Quality Assessment and Reproducibility for Instruments and Images in Light Microscopy (QUAREP‐LiMi) initiative.
Martin Schätz, Ko Sugawara
wiley   +1 more source

Natural Product‐Induced Ferroptosis to Overcome Therapy Resistance in Aggressive Cancers

ChemMedChem, Volume 21, Issue 20, 28 October 2026.
Natural products trigger ferroptosis through iron overload, glutathione depletion, glutathione peroxidase 4 inhibition, and reactive oxygen species accumulation, selectively targeting aggressive, and drug‐resistant cancers. Polyphenols, alkaloids and terpenoids emerge as promising multi‐target agents to overcome therapy resistance and improve future ...
Giorgio Antoniolli
wiley   +1 more source

Molecular Docking Study of Anti-viral FDA-approved Drugs as Novel Entry and Replication Ebola Viral Inhibitors [PDF]

Background & Objective: Because of the reported high ability of virulence and the lack of appropriate drug of Ebola virus during the last decades, many investigations have been accomplished regarding discovery and the introduction of anti-Ebola drugs ...
ادهمی, واحد, سپهری, ساقی   +1 more
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