Results 91 to 100 of about 1,830,783 (287)

Computational Evaluation of the COVID-19 3c-like Protease Inhibition Mechanism, and Drug Repurposing Screening [PDF]

, 2020
The rapid spread of the COVID-19 outbreak is now a global threat with over a million diagnosed cases and more than 70 thousand deaths. Specific treatments and effective drugs regarding such disease are in urgent need.
Wenlang, Liu, Zheng, Zheng, Hao, Liu, Tao, Jiang   +3 more
core   +1 more source

Data‐Driven Materials Science for Energy‐Sustainable Applications

Advanced Materials, EarlyView.
Data‐driven approaches powered by artificial intelligence are transforming materials discovery for energy sustainability. This review examines how auto‐generated high‐quality materials databases and domain‐specific language models accelerate research in photovoltaics, thermoelectrics, batteries and magnetic materials. Applications involve extraction of
Jacqueline M. Cole
wiley   +1 more source

Spatial Control of Light‐Responsive Proteins and Optogenetics Within Hydrogels via Volumetric Bioprinting

Advanced Materials, EarlyView.
Spatiotemporal control over cell behavior within bioprinted constructs remains a key challenge in biofabrication. Volumetric bioprinting using multi‐wavelength light sources permits to activate light‐sensitive intracellular proteins as well as optogenetic gene and protein expression circuits in bioprinted cells, in addition to enabling fast printing of
Davide Ribezzi, Pere Català, Gabriel Größbacher, Paulina Nuñez Bernal, Olaf Nijssen, Sammy Florczak, Wilco Nijenhuis, Nuria Crusellas‐Villorbina, Bram Nijhoff, Paul Delrot, Jos Malda, Andreas Hierholzer, Martin Fussenegger, Lukas C. Kapitein, Riccardo Levato   +14 more
wiley   +1 more source

Advanced MXene‐Based Multifunctional Nanoarchitecture Materials Engineered for Adsorptive Cleanup of Hazardous Radioactive Pollutants: A Comprehensive Critical Review

Advanced Materials Interfaces, EarlyView.
This work critically reviews MXenes as highly effective multifunctional nanomaterials for the adsorption of radio‐contaminants, demonstrating a remarkable adsorption capacity of up to 1376.75 mg/g and cyclic stability of 2–8 cycles, with complexation, electrostatic interactions, and the numerical strength of MXene active sites playing a key operational
Stephen Sunday Emmanuel, Shepherd M. Tichapondwa   +1 more
wiley   +1 more source

Degradable Magnetic Composites from Recycled NdFeB Magnets for Soft Actuation and Sensing

Advanced Robotics Research, EarlyView.
This work presents a degradable soft magnetic composite made from recycled NdFeB particles embedded in a gelatin‐based organogel. The material is processed into magnetic sensors and soft robotic components, which can later be dissolved in a green solvent to recover NdFeB magnetic particles.
Muhammad Bilal Khan, Lin Guo, Kilian Schäfer, Eduardo Sergio Oliveros‐Mata, Xiaotao Wang, Florian Hofmann, Matthias Lutzi, Mark Suppelt, Proloy Taran Das, Jan Schmidtpeter, Imants Dirba, Stephan Rinderknecht, Mario Kupnik, Denys Makarov, Oliver Gutfleisch   +14 more
wiley   +1 more source

Deep Contrastive Learning for High‐Throughput Prediction of Drug Resistance Mutations from Sequences

Advanced Science, EarlyView.
This study presents DeepMutDTA, a deep learning framework aimed at predicting mutation‐induced changes in protein‐drug interactions and prioritizing variants potentially linked to drug resistance. Trained on large‐scale data, it incorporates SimSiam‐MuTF, a label‐aware contrastive fine‐tuning strategy that encourages separation between WT and MT ...
Xiaowen Hu, Pan Zhang, Shangqian Wu, Hao Sun, Minwei Li, Sophia Tsoka, Zizhang Sheng, Lei Deng   +7 more
wiley   +1 more source

Identifying patterns to uncover the importance of biological pathways on known drug repurposing scenarios

BMC Genomics
Background Drug repurposing plays a significant role in providing effective treatments for certain diseases faster and more cost-effectively. Successful repurposing cases are mostly supported by a classical paradigm that stems from de novo drug ...
Belén Otero-Carrasco, Esther Ugarte Carro, Lucía Prieto-Santamaría, Marina Diaz Uzquiano, Juan Pedro Caraça-Valente Hernández, Alejandro Rodríguez-González   +5 more
doaj   +1 more source

Mitochondria and Neuromast Tagging With Fluorescent Gallium‐Triapine Analogues: In Cellulo MP FLIM and Zebrafish Live Imaging

Advanced Science, EarlyView.
Fluorescent BODIPY‐conjugated thiosemicarbazone ligands and their Ga(III), In(III), and Fe(III) complexes, inspired by Triapine, are developed as theranostic agents. Multiphoton FLIM and confocal microscopy in cancer cells and zebrafish reveal real‐time uptake, mitochondrial localisation, and whilst spectroscopic assays indicated preserved complex ...
Megan J. Green, Michael W. Jones, Merissa Saleem, Haobo Ge, Melita Tvardauskaite, Julia Dudzic, Fernando Cortezon‐Tamarit, Rory L. Arrowsmith, Charareh Pourzand, Gabriele Kociock‐Kohn, Nicholas H. Rees, Jonathan R. Dilworth, Stephen Faulkner, Stanley W. Botchway, David Gurevich, Sofia I. Pascu   +15 more
wiley   +1 more source

The Drug Repurposing Encyclopedia (DRE): a web server for systematic drug repurposing across 20 organisms

, 2023
The identification of new therapeutic uses for compounds via computational or experimental approaches, which is widely known as drug repurposing, has the potential to develop novel therapies with pre-existing medicines, thereby reducing the time and ...
Pan, L, Hühn, D,, Li, X, Fernandez-Capetillo, O, Sanchez-Burgos, L   +4 more
core   +1 more source

Loss of E3 Ubiquitin Ligase RINES via CpG Methylation Relieves Suppression of STAT3 and MYC, Facilitating Multiple Tumorigeneses

Advanced Science, EarlyView.
Dysregulated protein modifications drive tumorigenesis. RINES, an E3 ubiquitin ligase, represses tumor cell proliferation and metastasis by facilitating RING domain‐dependent, ubiquitin–proteasome‐mediated degradation of STAT3 and MYC, which consequently restrains cancer stemness and oncogenic progression.
Lili Li, Ka Man Ng, Xingsheng Shu, Xiaoxue Chai, Kai Yau Wong, Gopesh Srivastava, Anthony T.C. Chan, Wai Yee Chan, Qian Tao   +8 more
wiley   +1 more source