Results 81 to 90 of about 9,026,292 (300)

A novel quinazolinone insulin receptor inhibitor and its synergy with an EGFR inhibitor in glucose‐driven glioblastoma

Molecular Oncology, EarlyView.
The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka, Wioleta Cieślik, Wojciech Płaziński, Katarzyna Stępnik, Anna Boguszewska‐Czubara, Elżbieta Kot, Robert Musioł, Mateusz Jasica, Anna Mrozek‐Wilczkiewicz, Katarzyna Malarz   +9 more
wiley   +1 more source

Thermodynamic and Transport Properties of Alkanes (CnH2n+2; n = 5–8)

ChemistryOpen
In the present work, we have utilized “alchemical” approaches to study the thermodynamic properties of four alkane molecules: pentane, hexane, heptane, and octane in water.
Deependra Awasthi, Narayan Gautam, Shyam P. Khanal, Rajendra Prasad Koirala, Narayan P. Adhikari   +4 more
doaj   +1 more source

Quantum Chemical (QC) Calculations and Linear Solvation Energy Relationships (LSER): Hydrogen-Bonding Calculations with New QC-LSER Molecular Descriptors

Liquids
A new method, based on quantum chemical calculations, is proposed for the thermodynamically consistent reformulation of QSPR-type Linear Free-Energy Relationship (LFER) models.
Costas Panayiotou
doaj   +1 more source

Oncogenic DMTF1β promotes cancer cell motility by regulating autophagy through ULK1 stabilization

Molecular Oncology, EarlyView.
In the current study, we demonstrate that the oncogene DMTF1β regulates ULK1 stability by reducing its proteasomal degradation in cancer cells. This stabilization enables ULK1 to induce autophagy, which in turn facilitates cancer cell migration. Consequently, reduced DMTF1β levels lead to decreased autophagy and impaired cancer cell migration.
Jun Xu, Nicolas J. Niklaus, Anna M. Schläfli, Igor Tokarchuk, Magali Humbert, Federico La Manna, Bich Vu, David Maul, Ramin Radpour, Marianna Kruithof‐de Julio, Inti Zlobec, Jörn Dengjel, Bruce E. Torbett, Mario P. Tschan   +13 more
wiley   +1 more source

Thermodynamic and transport properties of Belinostat

Bibechana
HDACs inhibitors, Belinostat inhibits class I HDACs, class II HDACs and class IV HDAC proteins activities. Antitumor activity of Belinostat is attributed to epi- genetic control of gene expression and inhibition of protein repression.
Narayan Gautam, Deependra Awasthi, Shyam Prakash Khanal, Rajendra Prasad Koirala, Narayan Prasad Adhikari   +4 more
doaj   +3 more sources

PAK1 activation drives divergent resistance mechanisms to aromatase inhibition and tamoxifen in a luminal: A breast cancer model

Molecular Oncology, EarlyView.
Breast cancer remains a major cause of cancer death in women, frequently developing endocrine therapy resistance. This study demonstrates that upregulated p21‐activated kinase 1 (PAK1) activity drives resistance to tamoxifen and long‐term estrogen deprivation in ER+ breast cancer models.
Luisa Schwarzmüller, Janina Müller, Efstathios‐Iason Vlachavas, Lukas Beumers, Lena Fleischhacker, Sara Burmester, Angelika Wörner, Sabine Karolus, Dominic Helm, Cindy Körner, Stefan Wiemann   +10 more
wiley   +1 more source

Assessing the Partitioning of the Electrostatic Solvation Energy Following the Interacting Quantum Atoms Approach [PDF]

, 2019
The Interacting Quantum Atoms (IQA) approach allows for a decomposition of the global molecular energy into atomic contributions which tend to the energies of isolated atoms at the limit of non-interaction. Within a molecule, one can discriminate between
Fernando Jiménez-Grávalos [0000-0002-9181-5234], Evelio Francisco [0000-0002-2717-6220], Natalia Díaz [0000-0002-9641-7630], Ángel Martín Pendás [0000-0002-4471-4000], Dimas Suárez [0000-0001-8003-2309]   +4 more
core  

Prediction of Solvation Free Energy of Proteins: Molecular Dynamics Simulation and QSPR Model Approach [PDF]

Solvation free energy has valuable role as represents the desolvation cost of a molecu-lar binding interaction, which is very important in a variety of chemical and biological processes. Therefore, many computational methods have been explored to predict
40506820, Saito, Hiroaki, Mizukami, Taku, 9908, Kawaguchi, Kazutomo, 524, 30291892, 18803, 18804, 90402429, Nagao, Hidemi, Sri, R. Natasia, 18802   +12 more
core   +2 more sources

Li-Ion Mobility and Solvation Structures in Concentrated Poly(ethylene carbonate) Electrolytes: A Molecular Dynamics Simulation Study

Batteries
With the rapid global increase in the use of digital devices and electric vehicles, solid polymer electrolytes (SPEs) have emerged as promising candidates for all-solid-state batteries.
Wei Tan, Kento Kimura, Yoichi Tominaga
doaj   +1 more source

PANoptosis in the pathogenesis of myelodysplastic syndromes

Molecular Oncology, EarlyView.
PANoptosis, a combination of three types of programmed cell death, is mediated by a large protein complex called a PANoptosome. In healthy bone marrow hematopoietic cells, PANoptosis is restricted by inhibitory signaling. In MDS, bone marrow cells become sensitive to the PANoptotic stimuli due to the aberrant inactivation of inhibitory signaling or ...
Rohit Thalla, Jyoti Lamichhane, Cameron Lewis, Peter Breslin, Jiwang Zhang   +4 more
wiley   +1 more source