Results 71 to 80 of about 239,615 (282)

A synthetic benzoxazine dimer derivative targets c‐Myc to inhibit colorectal cancer progression

Molecular Oncology, EarlyView.
Benzoxazine dimer derivatives bind to the bHLH‐LZ region of c‐Myc, disrupting c‐Myc/MAX complexes, which are evaluated from SAR analysis. This increases ubiquitination and reduces cellular c‐Myc. Impairing DNA repair mechanisms is shown through proteomic analysis.
Nicharat Sriratanasak, Bodee Nutho, Worawat Wattanathana, Narumon Phaonakrop, Bunnatut Panasawatwong, Katharina Erlenbach‐Wuensch, Sittiruk Roytrakul, Regine Schneider‐Stock, Pithi Chanvorachote   +8 more
wiley   +1 more source

Physicochemical, antioxidant properties of carotenoids and its optoelectronic and interaction studies with chlorophyll pigments

Scientific Reports, 2021
The physicochemical and antioxidant properties of seven carotenoids: antheraxanthin, β-carotene, neoxanthin, peridinin, violaxanthin, xanthrophyll and zeaxanthin were studied by theoretical means.
Ruby Srivastava
doaj   +1 more source

A new approach to local hardness

, 2011
The applicability of the local hardness as defined by the derivative of the chemical potential with respect to the electron density is undermined by an essential ambiguity arising from this definition. Further, the local quantity defined in this way does
Ayers, Ayers, Ayers, Ayers, Becke, Becke, Berkowitz, Borgoo, Broadus, Cedillo, Chattaraj, Chattaraj, Chattaraj, Chermette, Clarke, De Proft, De Proft, F. De Proft, Frisch, Fuentealba, Galván, Garza, Geerlings, Geerlings, Ghanty, Ghosh, Ghosh, Gál, Gál, Gál, Gál, Gál, Gál, Gál, Gál, Gázquez, Harbola, Hehre, Koenig, Langenaeker, Lee, Levedev, Liu, Liu, M. Torrent-Sucarrat, Melin, Meneses, Meneses, Mignon, Mignon, Mulliken, Nagy, Nagy, Olasz, Ozen, P. Geerlings, Parr, Parr, Parr, Parr, Pearson, Pearson, Pearson, Pearson, Perdew, Roy, Saha, Saha, Saha, Sanderson, Slater, T. Gál, Thomas, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Torrent-Sucarrat, Uline, Uline, Vargas, Yang, Zhou   +85 more
core   +1 more source

Adaptaquin is selectively toxic to glioma stem cells through disruption of iron and cholesterol metabolism

Molecular Oncology, EarlyView.
Adaptaquin selectively kills glioma stem cells while sparing differentiated brain cells. Transcriptomic and proteomic analyses show Adaptaquin disrupts iron and cholesterol homeostasis, with iron chelation amplifying cytotoxicity via cholesterol depletion, mitochondrial dysfunction, and elevated reactive oxygen species.
Adrien M. Vaquié, Davod R. Shah, Eliane E. S. Brechbühl, Michael McNicholas, Zhaoyang Xu, John H. Stockley, Laura Morcom, Diana Gold Diaz, Gemma C. Girdler, Rachel V. Seear, Gabriel Balmus, Rajiv R. Ratan, Harry Bulstrode, James A. Nathan, Manav Pathania, Kevin M. Brindle, David H. Rowitch   +16 more
wiley   +1 more source

Survivin and Aurora Kinase A control cell fate decisions during mitosis

Molecular Oncology, EarlyView.
Aurora A interacts with survivin during mitosis and regulates its centromeric role. Loss of Aurora A activity mislocalises survivin, the CPC and BubR1, leading to disruption of the spindle checkpoint and triggering premature mitotic exit, which we refer to as ‘mitotic slippage’.
Hana Abdelkabir, Shalitha Wickrama Arachchige, Sally P. Wheatley   +2 more
wiley   +1 more source

Relativistic effects on the Fukui function [PDF]

, 2018
The extent of relativistic effects on the Fukui function, which describes local reactivity trends within conceptual density functional theory (DFT), and frontier orbital densities has been analysed on the basis of three benchmark molecules containing the
De Proft, Frank, Geerlings, Paul, Mastalerz, Remigius, Reiher, Markus, Sablon, Nick   +4 more
core  

First principles view on chemical compound space: Gaining rigorous atomistic control of molecular properties

, 2012
A well-defined notion of chemical compound space (CCS) is essential for gaining rigorous control of properties through variation of elemental composition and atomic configurations. Here, we review an atomistic first principles perspective on CCS.
von Lilienfeld, O. A.
core   +1 more source

Cytoplasmic p21 promotes stemness of colon cancer cells via activation of the NFκB pathway

Molecular Oncology, EarlyView.
Cytoplasmic p21 promotes colorectal cancer stem cell (CSC) features by destabilizing the NFκB–IκB complex, activating NFκB signaling, and upregulating BCL‐xL and COX2. In contrast to nuclear p21, cytoplasmic p21 enhances spheroid formation and stemness transcription factor CD133.
Arnatchai Maiuthed, Kerstin Huebner, Katharina Erlenbach‐Wuensch, Chuanpit Hampel, Daniela Thalheim, Adriana Vial‐Roehe, Bodee Nutho, Susanne Merkel, Arndt Hartmann, Pithi Chanvorachote, Regine Schneider‐Stock   +10 more
wiley   +1 more source

Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

Marine Drugs, 2018
The MN12SX density functional, in connection with the Def2TZVP basis set, was assessed, together with the SMD solvation model (Solvation Model based on the Density), for calculation of the molecular properties and structure of a group of peptides of ...
Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

Connecting local structure to interface formation: a molecular scale van der Waals theory of nonuniform liquids

, 2001
This article reviews a new and general theory of nonuniform fluids that naturally incorporates molecular scale information into the classical van der Waals theory of slowly varying interfaces.
Weeks, John D.
core   +1 more source