Results 131 to 140 of about 342,372 (241)
Industrial Crops and ProductsNatural products constitute a significant reservoir for novel pesticide development. D-pinitol ((1 R,2S,3r,4 R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol), a compound exhibiting robust herbicidal activity, has been isolated from Sapindus mukorossi leaf
Mingyu Wang +6 more
doaj +1 more source
MFR-DTA: a multi-functional and robust model for predicting drug-target binding affinity and region. [PDF]
Bioinformatics, 2023 Hua Y, Song X, Feng Z, Wu X.
europepmc +1 more source
Kelvin Probe Force Microscopy in Bionanotechnology: Current Advances and Future Perspectives
Advanced Materials, EarlyView.Kelvin probe force microscopy (KPFM) enables the nanoscale mapping of electrostatic surface potentials. While widely applied in materials science, its use in biological systems remains emerging. This review presents recent advances in KPFM applied to biological samples and provides a critical perspective on current limitations and future directions for
Ehsan Rahimi +4 more
wiley +1 more source
Scientific ReportsBinding affinity is an important factor in drug design to improve drug-target selectivity and specificity. In this study, in silico techniques based on molecular docking followed by molecular dynamics (MD) simulations were utilized to identify the key ...
Chompunud Chompunud Na Ayudhya +2 more
doaj +1 more source
NHGNN-DTA: a node-adaptive hybrid graph neural network for interpretable drug-target binding affinity prediction. [PDF]
Bioinformatics, 2023 He H, Chen G, Chen CY.
europepmc +1 more source
Advanced Materials, EarlyView.Bioorthogonal chemistry was applied to intracellularly photoactivate Doxorubicin (Dox) using gold nanostars (AuNSt) and near‐infrared (NIR) light. Two prodrugs were used: one photoactivatable, masked with 2‐nitrobenzyl carbamate (proDox1) and another photolabile, masked with 2‐nitrobenzyl diol (proDox2), which was attached to the AuNSt surface.
Juan José Esteve‐Moreno +15 more
wiley +1 more source
Hybrid neural network approaches to predict drug-target binding affinity for drug repurposing: screening for potential leads for Alzheimer's disease. [PDF]
Front Mol Biosci, 2023 Wu X, Li Z, Chen G, Yin Y, Chen CY.
europepmc +1 more source
Advanced Materials, EarlyView.2D α‐Co(OH)2 interleaved with Mo species displays an appealing dual functionality for the production and use of green hydrogen.Mo incorporation greatly benefits the electrochemical behaviour in Oxygen Evolution Reaction for H2 production, while the magnetocaloric response at liquid H2 temperature paves the way for alternative cryogenic refrigerants ...
Daniel Muñoz‐Gil +14 more
wiley +1 more source
Electrically Readable Lateral Flow Assay Using Organic Transistors for Diagnostic Applications
Advanced Materials, EarlyView.Electrolyte‐gated organic field‐effect transistors (EGOFETs) are integrated with lateral flow (LF) paper fluidics to create a reusable, portable, and low‐cost point‐of‐care (PoC) diagnostic test. The devices are validated for Human Immunoglobulin G detection, achieving high sensitivity (0.1 fm), selectivity, and reproducibility with rapid results in 20–
María Jesús Ortiz‐Aguayo +4 more
wiley +1 more source
Machine learning in drug discovery: advancing protein-ligand binding affinity predictions
Binding affinity quantifies the strength of the interaction between a protein and a small drug-like molecule. Accurately determining binding affinity helps identify promising drug candidates in the early stage of drug discovery, particularly in hit ...
Gorantla, Rohan
core +1 more source