Results 61 to 70 of about 402,784 (308)

An assessment of mutagenicity of chemical substances by (quantitative) structure–activity relationship

open access: yesGenes and Environment, 2020
Currently, there are more than 100,000 industrial chemicals substances produced and present in our living environments. Some of them may have adverse effects on human health.
Masamitsu Honma
doaj   +1 more source

Interaction of HS1BP3 with cortactin modulates TKS5 localisation, cell secretion and cancer malignancy

open access: yesMolecular Oncology, EarlyView.
Here, we demonstrate that HS1BP3 interacts with Cortactin through a proline‐rich region (PRR3.1) and show that this interaction, and HS1BP3 itself, promote cancer cell proliferation and invasion. Inhibition of this interaction leads to build‐up of TKS5 in multivesicular endosomes and altered secretion of CD63 and CD9, providing an explanation for the ...
Arja Arnesen Løchen   +9 more
wiley   +1 more source

Comparison of Quantitative Structure-Activity Relationship Model Performances on Carboquinone Derivatives

open access: yesThe Scientific World Journal, 2009
Quantitative structure-activity relationship (qSAR) models are used to understand how the structure and activity of chemical compounds relate. In the present study, 37 carboquinone derivatives were evaluated and two different qSAR models were developed ...
Sorana D. Bolboaca, Lorentz Jäntschi
doaj   +1 more source

Three-dimensional quantitative structure-activity relationship of 4,5,6,7-tetrahydrothienopyridines analogues as glucose-6-phosphatase inhibitors

open access: yes, 2006
A Three-Dimensional Quantitative Structure-activity Relationship (3D-QSAR) model that correlates the biological activities with the chemical structures of a series of Glucose-6-phosphatase inhibitors, exemplified by the 4,5,6,7-tetrahydrothienopyridines ...
Yang, SL, Yang, L, Wang, C
core   +1 more source

Interpreting the effects of DNA polymerase variants at the structural level

open access: yesMolecular Oncology, EarlyView.
Using MAVISp and molecular dynamics simulations, we analyzed over 60 000 missense variants in POLE and POLD1 from ClinVar, COSMIC, cBioPortal, and saturation mutagenesis. Identified mechanistic indicators, including stability, binding, and long‐range, enable structural interpretation, providing ACMG‐like evidence for possible reclassification of VUS ...
Matteo Arnaudi   +7 more
wiley   +1 more source

Py-Graph: An Easy-To-Use Interface for Building Graph-Based QSAR Models

open access: yes, 2022
Graph Neural Networks (GNNs) have been proved to be effective for the prediction of molecules’ properties using the molecular graph. These models not only allow to obtain high classification and regression performances, but, with the help of ...
Roberto Capobianco   +2 more
core  

Clinical performance of the urine‐based TERT promoter AbsoluteQ Digital PCR for non‐invasive detection of bladder cancer

open access: yesMolecular Oncology, EarlyView.
A urine‐based digital PCR assay targeting two hotspot TERT promoter variants detected bladder cancer with high sensitivity and no false positives in this case–control cohort. The streamlined AbsoluteQ workflow outperformed Sanger sequencing and supports non‐invasive molecular testing for bladder cancer detection.
Anna Nykel   +12 more
wiley   +1 more source

Quantitative structure-activity relationship and machine learning

open access: yes, 2023
Quantitative structure-activity relationship (QSAR) computational methods allow us to examine the relationship between the chemical structure of molecules and their chemical or biological properties.
Nierostek, Jakub
core  

Analysis of Quantitative Structure-Activity Relationship (QSAR) Of 1,8-Napthalymide-4-Aminoquinoline Derivatives as Antimalarial Compounds

open access: yes, 2022
QSAR analysis from derivative compounds of 1,8-naphthalimide-4-aminoquinoline has been carried out with the aim of knowing the quantitative relationship between structure and activity based on the log IC50 value.
Ika Nur Fitriani   +5 more
core   +1 more source

MITF maintains genome stability in nonmelanocyte lineages

open access: yesMolecular Oncology, EarlyView.
MITF is essential for melanocyte survival and acts as an oncogene in 10%–20% of melanomas. We show that MITF depletion causes genome instability in nonmelanocytic cells, leading to LATS2‐mediated P53 activation, cell cycle arrest, and apoptosis. This study highlights the role of MITF as a genome maintenance factor beyond the melanocyte lineage. Created
Drifa H. Gudmundsdottir   +13 more
wiley   +1 more source

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