Results 51 to 60 of about 2,976,941 (240)

Inhibition of cyclin‐dependent kinases 12/13 using CT7439 as a treatment for colorectal cancer with CDK12 upregulation

open access: yesMolecular Oncology, EarlyView.
The proposed mechanism of action for the CDK12/13 inhibitor and cyclin K degrader, CT7439. CDK12/13 inhibition interrupts transcription elongation, leading to increased DNA damage that results in cell death. This agent is a potentially novel treatment option for patients with colorectal cancer. Created in BioRender. Cyclin‐dependent kinase (CDK) 12 and
Wylie K. Watlington   +10 more
wiley   +1 more source

Dual Modulation of Single Molecule Conductance via Tuning Side Chains and Electric Field with Conjugated Molecules Entailing Intramolecular O•••S Interactions

open access: yesAdvanced Science, 2022
Herein, single‐molecule conductance studies of TBT1‐TBT6 which entails 1,4‐dithienylbenzene as the backbone and SMe groups as the anchoring units, with the scanning tunneling microscope break junction (STM‐BJ) technique, are reported.
Hua Zhang   +7 more
doaj   +1 more source

Noncovalent Bonds through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons

open access: yesMolecules, 2021
Over the last years, scientific interest in noncovalent interactions based on the presence of electron-depleted regions called σ-holes or π-holes has markedly accelerated.
Wiktor Zierkiewicz   +2 more
doaj   +1 more source

Heterotropic regulation and negative homotropic cooperativity

open access: yesFEBS Open Bio, EarlyView.
We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea   +5 more
wiley   +1 more source

Isolated Dicyanoaurate(I) as a Polycentered σ-Hole Interaction Acceptor: A Combined Crystallographic and Theoretical Survey

open access: yesChemistry
The nucleophilic properties of the isolated dicyanoaurate(I) anion in σ-hole interactions were investigated using theoretical calculations of models from 19 crystalline literature structures.
Irina S. Aliyarova   +2 more
doaj   +1 more source

Small Molecules, Non-Covalent Interactions, and Confinement

open access: yesMolecules, 2020
This review gives an overview of current trends in the investigation of small guest molecules, confined in neat and functionalized mesoporous silica materials by a combination of solid-state NMR and relaxometry with other physico-chemical techniques. The
Gerd Buntkowsky, Michael Vogel
doaj   +1 more source

Association Complexes of Calix[6]arenes with Amino Acids Explained by Energy-Partitioning Methods

open access: yesMolecules, 2022
Intermolecular complexes with calixarenes are intriguing because of multiple possibilities of noncovalent binding for both polar and nonpolar molecules, including docking in the calixarene cavity.
Emran Masoumifeshani   +3 more
doaj   +1 more source

Visualizing the Entire Range of Noncovalent Interactions in Nanocrystalline Hybrid Materials Using 3D Electron Diffraction

open access: yes, 2022
Noncovalent interactions are essential in the formation and properties of a diverse range of hybrid materials. However, reliably identifying the noncovalent interactions in nanocrystalline materials remains challenging using conventional methods such as ...
Jian Qiao (26659)   +5 more
core   +1 more source

Structural and biochemical insights into the thermostable esterase Ta0887 from Thermoplasma acidophilum

open access: yesFEBS Open Bio, EarlyView.
In this study, a novel esterase from the thermoacidophilic archaeon Thermoplasma acidophilum was biochemically and structurally characterized. Our results demonstrate that Ta0887 is a highly thermostable esterase that preferentially hydrolyzes p‐nitrophenyl hexanoate and possesses an α‐helical cap domain that likely contributes to its substrate ...
Alejandro Delgado‐Rey   +4 more
wiley   +1 more source

Noncovalent Interactions in Catalysis [PDF]

open access: yes, 2019
Noncovalent interactions often provide the spine of biomolecular and material structures, and can therefore play a key role in biological and catalytic processes. Selectivity in chemical reactions, particularly in catalytic processes, is often an orchestral action of various noncovalent interactions occurring in intermediates and transition states ...
openaire   +1 more source

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