Results 101 to 110 of about 119,597,839 (255)

Albumin-Based Nanoparticles with Factorial Design as a Promising Approach for Remodeled Repaglinide: Evidence from In Silico, In Vitro, and In Vivo Evaluations

Pharmaceutics
Background/Objectives: Hyperlipidemia is a silent threat lurking in the bloodstream of millions worldwide. The nano-based platform has emerged as a promising drug delivery technology.
Mennatullah M. Faisal, Eman Gomaa, Mohamed S. Attia, Rana M. Abdelnaby, Adel Ehab Ibrahim, Ahmed Al-Harrasi, Sami El Deeb, Al Zahraa G. Al Ashmawy   +7 more
doaj   +1 more source

Copper‐Driven Epithelial Barrier Disruption: A Novel Mechanism of COPD Acute Exacerbations Mediated by the TNF‐α/ATP7A Axis

Advanced Science, EarlyView.
This study reveals a copper‐driven mechanism of COPD acute exacerbations mediated by the TNF‐α/ATP7A axis. TNF‐α suppresses the copper transporter ATP7A via competitive NF‐κB/CREB1/CBP signaling, resulting in intracellular copper accumulation, mitochondrial oxidative stress, and epithelial barrier disruption.
Xinru Xiao, Yongzhe Hao, Ziqi Ding, Zhipeng Wang, Yujia Shi, Yanhua Huang, Chunjian Qi, Qian Zhang   +7 more
wiley   +1 more source

The importance of in-silico studies in drug discovery

Intelligent Pharmacy
The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches ...
Miah Roney, Mohd Fadhlizil Fasihi Mohd Aluwi   +1 more
doaj   +1 more source

Single‐Cell Dissection of Microglial Dysfunction in Diabetes‐Associated Neurodegenerative Vulnerability

Advanced Science, EarlyView.
Using single‐cell transcriptomic and epigenomic profiling, researchers mapped microglial dysfunction across the lifespan of db/db mice. The authors uncovered a nonlinear microglial remodeling featuring early inflammatory priming, a mid‐stage transcriptional inflection, and late dysfunction.
Jizhou Zhang, Tsz Kwan Yau, Joyce Tse, Tsz Ho Li, Dongjie Hu, Yong Juan Zhao, Ting‐Fung Chan   +6 more
wiley   +1 more source

In-silico investigation of alpha-bisabolol and derivatives as inhibitors of bcl-2 family proteins for targeting glioblastoma

International Journal of Secondary Metabolite
Glioblastoma is one of the most common and destructive types of tumors, with an increasing number around the world. Alpha-bisabolol is a plant secondary metabolite with discovered anticancer activity, which can also be considered a potential treatment ...
Sibel Kaymak, Nilüfer Vural
doaj   +1 more source

Correction to In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop

, 2016
Correction to In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design ...
David M. Hoyle (2073148), Thomas C. B. McLeish (2073151), Chinmay Das (2073145), Solomon M. Kimani (1412848), Lian R. Hutchings (1412842), Taihyun Chang (1401064), Daniel J. Read (2073142), Dietmar Auhl (1588459), Hyojoon Lee (1899214)   +8 more
core   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

Advanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne, Delphine Dessaux, Samuel Buchet, Lucie Barthe, Liza Ammar‐Khodja, Bessam Azizi, Valentin Durante, Gianluca Cioci, Simon de Givry, Alain Roussel, Luis F. Garcia‐Alles, Thomas Schiex, Sophie Barbe   +12 more
wiley   +1 more source

Innovative Approaches in the Design of Flavonoid-Based Functional Foods for Pediatric Nutrition

Applied Food Research
This review presents a novel and application-oriented framework for the development of flavonoid-rich functional foods aimed at mitigating the adverse effects of chemo- and radiotherapy (particularly mucositis) in pediatric cancer patients.
María Paula Deaza-Fernández, Daniela Sarmiento-Soto, Maria Ximena Quintanilla-Carvajal   +2 more
doaj   +1 more source

Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics‐Based Optimization with Limited Activity Data

Advanced Science, EarlyView.
Using a minimal set of experimentally labeled antimicrobial and non‐antimicrobial peptides, we reconstruct the effective lipid composition of a pathogenic membrane ‐demonstrated at the example of bacterial membranes‐ through a physics‐based evolutionary molecular dynamics (Evo‐MD) approach. Optimization based on peptide insertion reveals broad‐spectrum
Maximilian Krebs, Herre Jelger Risselada
wiley   +1 more source

Proceedings of the 25th Conference on Formal Methods in Computer-Aided Design, FMCAD 2025 [PDF]

The Conference on Formal Methods in Computer-Aided Design (FMCAD) is an annual conference on the theory and applications of formal methods in hardware and system verification.
Formal Methods in Computer Aided Design
core   +1 more source