Results 141 to 150 of about 342,422 (269)

ArkDTA: attention regularization guided by non-covalent interactions for explainable drug-target binding affinity prediction. [PDF]

Bioinformatics, 2023
Gim M, Choe J, Baek S, Park J, Lee C, Ju M, Lee S, Kang J.   +7 more
europepmc   +1 more source

Multivalent sialic acid binding proteins as novel therapeutics for influenza and parainfluenza infection

, 2014
In nature, proteins with weak binding affinity often use a multivalency approach to enhance protein affinity via an avidity effect. Interested in this multivalency approach, we have isolated a carbohydrate binding module (CBM) that recognises sialic ...
Alias, Nadiawati
core  

Improving the Accuracy of Protein-Ligand Binding Affinity Prediction by Deep Learning Models: Benchmark and Model

, 2019
Introduction: The ability to discriminate among ligands binding to the same protein target in terms of their relative binding affinity lies at the heart of structure-based drug design.
Mohammad, Rezaei, Chenglong, Li, Yanjun, Li, Xiaolin, Li   +3 more
core   +1 more source

Bacteria‐Responsive Nanostructured Drug Delivery Systems for Targeted Antimicrobial Therapy

Advanced Materials, EarlyView.
Bacteria‐responsive nanocarriers are designed to release antimicrobials only in the presence of infection‐specific cues. This selective activation ensures drug release precisely at the site of infection, avoiding premature or indiscriminate release, and enhancing efficacy.
Guillermo Landa, Gracia Mendoza, Silvia Irusta, Manuel Arruebo   +3 more
wiley   +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, Mario Palacios‐Corella, Arjan Mol, Salvador Pané, Josep Puigmartí‐Luis   +4 more
wiley   +1 more source

Role of CSF1R 550th-tryptophan in kusunokinin and CSF1R inhibitor binding and ligand-induced structural effect

Scientific Reports
Binding 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, Potchanapond Graidist, Varomyalin Tipmanee   +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

Bioorthogonal Photoactivation of 2‐Nitrobenzyl Caged Doxorubicin Anticancer Prodrugs on Gold Nanostars

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, Andrea Escudero, Oscar Ferreira Silvestre, José Manuel Terrés, Mónica Gorbe, Eva Garrido, Carlos Renero‐Lecuna, Judith Langer, María Alfonso, Javier Ibañez, Félix Sancenón, Roberto Cao‐Milán, Luis M. Liz‐Marzán, Alba García‐Fernández, Andy Hernández‐Montoto, Ramón Martínez‐Máñez   +15 more
wiley   +1 more source

Identification of MDH as a herbicidal protein target of botanical D-pinitol in Amaranthus retroflexus L.

Industrial Crops and Products
Natural 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, Caixia Wang, Yaxin Li, Hualong Yu, Jingao Dong, Lihui Zhang, Shujie Ma   +6 more
doaj   +1 more source