Results 1 to 10 of about 2,406,031 (343)

Protein-protein binding supersites.

open access: yesPLoS Computational Biology, 2019
The lack of a deep understanding of how proteins interact remains an important roadblock in advancing efforts to identify binding partners and uncover the corresponding regulatory mechanisms of the functions they mediate.
Raji Viswanathan   +4 more
doaj   +5 more sources

Computational Approach to Drug Penetration across the Blood-Brain and Blood-Milk Barrier Using Chromatographic Descriptors

open access: yesCells, 2023
Drug penetration through biological barriers is an important aspect of pharmacokinetics. Although the structure of the blood-brain and blood-milk barriers is different, a connection can be found in the literature between drugs entering the central ...
Wanat Karolina   +2 more
doaj   +1 more source

Milk-Derived Carbon Quantum Dots: Study of Biological and Chemical Properties Provides Evidence of Toxicity

open access: yesMolecules, 2022
Carbon dots (CDs) are carbon-based zero-dimensional nanomaterials that can be prepared from a number of organic precursors. In this research, they are prepared using fat-free UHT cow milk through the hydrothermal method.
Hasan Shabbir   +11 more
doaj   +1 more source

Revisiting the Rate-Limiting Step of the ANS–Protein Binding at the Protein Surface and Inside the Hydrophobic Cavity

open access: yesMolecules, 2021
8-Anilino-1-naphthalenesulfonic acid (ANS) is used as a hydrophobic fluorescence probe due to its high intensity in hydrophobic environments, and also as a microenvironment probe because of its unique ability to exhibit peak shift and intensity change ...
Chikashi Ota   +2 more
doaj   +1 more source

Investigating the side-chain structural organization behind the stability of protein folding and binding [PDF]

open access: yesSci Rep 12, 12087 (2022), 2021
What are the molecular mechanisms that dictate protein-protein binding stability and whether those are related to the ones behind protein fold stability are still largely open questions. Indeed, despite many past efforts, we still lack definitive models to account for experimental quantities like protein melting temperature or complex binding affinity.
arxiv   +1 more source

Two phytocompounds from Schinopsis brasiliensis show promising antiviral activity with multiples targets in Influenza A virus

open access: yesAnais da Academia Brasileira de Ciências, 2021
Influenza A virus, the main flu agent, affects billions of people worldwide. Conventional treatments still present limitations related to drug-resistance and severe side effects.
PEDRO HENRIQUE SETTE-DE-SOUZA   +4 more
doaj   +1 more source

Ligand-induced protein dynamics differences correlate with protein-ligand binding affinities: An unsupervised deep learning approach [PDF]

open access: yesCommun. Biol. 5, 481 (2022), 2021
Prediction of protein-ligand binding affinity is a major goal in drug discovery. Generally, free energy gap is calculated between two states (e.g., ligand binding and unbinding). The energy gap implicitly includes the effects of changes in protein dynamics induced by the binding ligand.
arxiv   +1 more source

An Overview of the Protein Binding of Cephalosporins in Human Body Fluids: A Systematic Review

open access: yesFrontiers in Pharmacology, 2022
Introduction: Protein binding can diminish the pharmacological effect of beta-lactam antibiotics. Only the free fraction has an antibacterial effect. The aim of this systematic literature review was to give an overview of the current knowledge of protein
C. Jongmans   +8 more
doaj   +1 more source

PEDOT-Polyamine-Based Organic Electrochemical Transistors for Monitoring Protein Binding

open access: yesBiosensors, 2023
The fabrication of efficient organic electrochemical transistors (OECTs)-based biosensors requires the design of biocompatible interfaces for the immobilization of biorecognition elements, as well as the development of robust channel materials to enable ...
Marjorie Montero-Jimenez   +5 more
doaj   +1 more source

In Silico Plasma Protein Binding Studies of Selected Group of Drugs Using TLC and HPLC Retention Data

open access: yesPharmaceuticals, 2021
Plasma protein binding is an important determinant of the pharmacokinetic properties of chemical compounds in living organisms. The aim of the present study was to determine the index of protein binding affinity based on chromatographic experiments.
Karolina Wanat   +3 more
doaj   +1 more source

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