Results 41 to 50 of about 465,259 (306)

Modulation of Homer1 EVH1 domain internal dynamics by putative autism‐associated mutations

open access: yesFEBS Letters, EarlyView.
The putative autism‐associated M65I and S97L variants of the EVH1 domain of the postsynaptic scaffold protein Homer1 do not exhibit substantial changes in their overall structure or partner binding. Both of them, but especially the M65I variant, show altered internal dynamics relative to the wild‐type domain on the μs‐ms timescale, indicated by the ...
Fanni Farkas   +6 more
wiley   +1 more source

AI is a viable alternative to high throughput screening: a 318-target study [PDF]

open access: yes
High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space.
The Atomwise AIMS Program   +3 more
core   +1 more source

Screening for molecular glues – Challenges and opportunities

open access: yesSLAS Discovery
Molecular glues are small molecules, typically smaller than PROTACs, and usually with improved physicochemical properties that aim to stabilise the interaction between two proteins.
Geoffrey A. Holdgate   +4 more
doaj   +1 more source

Genome-Wide siRNA Screen for Anti-Cancer Drug Resistance in Adherent Cell Lines

open access: yesBio-Protocol, 2015
The expression of genes is frequently manipulated in cell lines to study their cellular functions. The use of exogenous small Interfering RNAs (siRNAs) is a very efficient technique to temporarily downregulate the expression of genes of interest ...
Elza de Bruin   +3 more
doaj   +1 more source

A Searchable Database of Crystallization Cocktails in the PDB: Analyzing the Chemical Condition Space

open access: yesPatterns, 2020
Summary: Nearly 90% of structural models in the Protein Data Bank (PDB), the central resource worldwide for three-dimensional structural information, are currently derived from macromolecular crystallography (MX).
Miranda L. Lynch   +2 more
doaj   +1 more source

Beneficial effects of silibinin on serum lipids, bile acids, and gut microbiota in methionine-choline-deficient diet-induced mice

open access: yesFrontiers in Nutrition, 2023
Background and purposeSilibinin (SIL) is a flavonoid lignin isolated from the fruit and seeds of silybum marianum that exhibits good therapeutic potential for NASH. However, the effects of SIL on serum lipids, bile acids (BAs), and gut microbiota (GM) in
Wei Wang   +5 more
doaj   +1 more source

Network divergence analysis identifies adaptive gene modules and two orthogonal vulnerability axes in pancreatic cancer

open access: yesMolecular Oncology, EarlyView.
Tumors contain diverse cellular states whose behavior is shaped by context‐dependent gene coordination. By comparing gene–gene relationships across biological contexts, we identify adaptive transcriptional modules that reorganize into distinct vulnerability axes.
Brian Nelson   +9 more
wiley   +1 more source

Machine learning assisted high-throughput screening of zeolites for the selective adsorption of xylene isomers

open access: yes, 2022
The production of widely used polymers such as polyester currently relies upon the chemical separation of and transformation of xylene isomers. The least valuable but most prevalent isomer is meta-xylene which can be selectively transformed into the ...
Tom, Pope   +4 more
core   +1 more source

Breaking shackles of molecular weight and emission for NIR-II fluorophores by regulating Columb attraction interaction

open access: yesNature Communications
The second near-infrared (NIR-II) dyes provide advantages for in vivo imaging, but challenges persist. A primary issue is the lack of practicable strategies to balance emission wavelength and molecular weight, particularly for low-molecular-weight ( 1000 
Miantai Ye   +6 more
doaj   +1 more source

EDNRB‐dependent endothelin signaling reduces proliferation and promotes proneural‐to‐mesenchymal transition in gliomas

open access: yesMolecular Oncology, EarlyView.
Glioma cells mainly express the endothelin receptor EDNRB, while EDNRA is restricted to a perivascular tumor subpopulation. Endothelin signaling reduces glioma cell proliferation while promoting migration and a proneural‐to‐mesenchymal transition associated with poor prognosis. This pathway activates Ca2+, K+, ERK, and STAT3 signalings and is regulated
Donovan Pineau   +36 more
wiley   +1 more source

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