Rational design of novel phenol ether derivatives as non-covalent proteasome inhibitors through 3D-QSAR, molecular docking and ADMET prediction [PDF]
Exploration of Drug Science, 2023 Aim: The purpose of this paper is to use different structures and ligand-based drug design methods properly to provide theoretical guidance for the design of novel non-covalent proteasome inhibitors, and conduct theoretical analysis of the binding ...
Miao Yuan +4 more
doaj +1 more source
Frontiers in Chemistry, 2020 Membrane fouling remains a notorious problem in microfiltration (MF) and ultrafiltration (UF), and a systematic understanding of the fouling mechanisms is fundamental for solving this problem. Given a wide assortment of fouling studies in the literature,
Hao Xu +9 more
doaj +1 more source
Structure and Characterization of a Covalent Inhibitor of Src Kinase
Frontiers in Molecular Biosciences, 2020 Unregulated Src activity promotes malignant processes in cancer, but no Src-directed targeted therapies are used clinically, possibly because early Src inhibitors produce off-target effects leading to toxicity.
Deepak Gurbani +13 more
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Affinity-induced covalent protein-protein ligation via the SpyCatcher-SpyTag interaction
Green Carbon, 2023 Production of economically viable bioethanol is potentially an environmentally and financially worthwhile endeavor. One major source for fermentable sugars is lignocellulose. However, lignocellulosic biomass is difficult to degrade, owing to its inherent
Jacob O. Fierer +6 more
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Chitosan Functionalization: Covalent and Non-Covalent Interactions and Their Characterization
Polymers, 2021 Chitosan (CS) is a natural biopolymer that has gained great interest in many research fields due to its promising biocompatibility, biodegradability, and favorable mechanical properties. The versatility of this low-cost polymer allows for a variety of chemical modifications via covalent conjugation and non-covalent interactions, which are designed to ...
Laura Nicolle +2 more
openaire +2 more sources
Non-covalent ligand-oxide interaction promotes oxygen evolution
Nature Communications, 2023 If and how non-bonding ligands mediate the electronic states of metal sites is interesting yet remains to be explored. Here the authors show that a non-covalent phenanthroline can promote the population of Co4+ and induce polaron-like Co sites for ...
Qianbao Wu +15 more
doaj +1 more source
Quantification of the interactions in halide-anion-based imidazolium ionic liquids
Journal of Ionic Liquids, 2022 Non-covalent interactions between constituent ions of ionic liquids (ILs) define their distinctive physicochemical properties and are critical for understanding their micro and bulk structures as well as designing new task-specific ILs.
Deepak K. Pandey +3 more
doaj +1 more source
Electrochemical sensors modified with combinations of sulfur containing phthalocyanines and capped gold nanoparticles: A study of the influence of the nature of the interaction between sensing materials [PDF]
, 2019 Producción CientíficaVoltametric sensors formed by the combination of a sulfur-substituted zinc phthalocyanine (ZnPcRS) and gold nanoparticles capped with tetraoctylammonium bromide (AuNPtOcBr) have been developed.
García Cabezón, Ana Cristina +7 more
core +1 more source
Tetrel Interactions from an Interacting Quantum Atoms Perspective
Molecules, 2019 Tetrel bonds, the purportedly non-covalent interaction between a molecule that contains an atom of group 14 and an anion or (more generally) an atom or molecule with lone electron pairs, are under intense scrutiny. In this work, we perform an interacting
José Luis Casals-Sainz +3 more
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Hydrogen-bonding and π-π interaction promoted solution-processable covalent organic frameworks
Nature Communications, 2023 Covalent organic frameworks show great potential in gas adsorption/separation, biomedicine, device, sensing, and printing arenas. However, covalent organic frameworks are generally not dispersible in common solvents resulting in the poor processability ...
Lei Zhang +10 more
doaj +1 more source