Results 71 to 80 of about 772,665 (325)

Hydrogen bonds and asymmetrical heat diffusion in a-Helices. A Computational Analysis

, 2015
In this work, we report the heat rectifying capability of a-helices. Using molecular dynamics simulations we show an increased thermal diffusivity in the C-Terminal to N-Terminal direction of propagation.
Gutierrez, Gonzalo, Miño-Galaz, German A.   +1 more
core   +2 more sources

A nucleotide‐independent, pan‐RAS‐targeted DARPin elicits anti‐tumor activity in a multimodal manner

Molecular Oncology, EarlyView.
We report a Designed Ankyrin Repeat Protein that binds and inhibits RAS proteins, which serve as central cell signaling hubs and are essential for the progression of many cancers. Its unique feature is that it does not discriminate between different RAS isoforms or mutations and is capable of binding to RAS in both its active (GTP‐bound) and inactive ...
Jonas N. Kapp, Wouter P. R. Verdurmen, Jonas V. Schaefer, Kari Kopra, Gabriela Nagy‐Davidescu, Elodie Richard, Marie‐Julie Nokin, Patrick Ernst, Rastislav Tamaskovic, Martin Schwill, Ralph Degen, Claudia Scholl, David Santamaria, Andreas Plückthun   +13 more
wiley   +1 more source

Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide

Acta Crystallographica Section E: Crystallographic Communications, 2017
In the title compounds, C14H17N5OS (I) and C13H15N5O2S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II).
Manisha Choudhury, Vijayan Viswanathan, Ajay Kumar Timiri, Barij Nayan Sinha, Venkatesan Jayaprakash, Devadasan Velmurugan   +5 more
doaj   +1 more source

Cytomegalovirus infection is common in prostate cancer and antiviral therapies inhibit progression in disease models

Molecular Oncology, EarlyView.
Human cytomegalovirus infection is common in normal prostate epithelium, prostate tumor tissue, and prostate cancer cell lines. CMV promotes cell survival, proliferation, and androgen receptor signaling. Anti‐CMV pharmaceutical compounds in clinical use inhibited cell expansion in prostate cancer models in vitro and in vivo, motivating investigation ...
Johanna Classon, Moa Stenudd, Margherita Zamboni, Kanar Alkass, Carl‐Johan Eriksson, Lars Pedersen, Alrik Schörling, Anna Thoss, Anders Bergh, Pernilla Wikström, Hans‐Olov Adami, Henrik Toft Sørensen, Henrik Druid, Jonas Frisén   +13 more
wiley   +1 more source

2-(Ethylsulfinyl)imidazo[1,2-a]pyridine-3-sulfonamide

Acta Crystallographica Section E, 2012
The supramolecular structure of the title compound, C9H11N3O3S2, is defined by two intermolecular hydrogen bonds. Pairs of N—H...N hydrogen bonds link the molecules into centrosymmetric dimers and N—H...O hydrogen bonds link the ...
Jing Li, Haixia Ma, Yaling Gong
doaj   +1 more source

Percolation model for structural phase transitions in Li$_{1-x}$H$_x$IO$_3$ mixed crystals

, 2004
A percolation model is proposed to explain the structural phase transitions found in Li$_{1-x}$H$_x$IO$_3$ mixed crystals as a function of the concentration parameter $x$.
A.I. Barabash, C. Svensson, E. Coquet, F.E.A. Melo, F.R. Nash, G. Albrecht, J. A. Plascak, J. Le Roy, J. Le Roy, J.-M. Crettez, J.-M. Crettez, J.E. Ricci, J.P. Misset, K.J. Avdienko, M. A. Pimenta, M. Peyrard, M.A. Pimenta, M.B. Newton, M.D. Newton, M.E.J. Newman, M.E.J. Newman, M.T. Rogers, P. H. L. Martins, P.A. Giguère, P.H.L. Martins, S.A. Hamid, S.A. Hamid, S.C. van der Marck, S.K. Kurtz, W.H. Zachariasen   +29 more
core   +1 more source

A double-deletion method to quantifying incremental binding energies in proteins from experiment. Example of a destabilizing hydrogen bonding pair [PDF]

, 2004
The contribution of a specific hydrogen bond in apoflavodoxin to protein stability is investigated by combining theory, experiment and simulation. Although hydrogen bonds are major determinants of protein structure and function, their contribution to ...
Ben-Tal, Blaber, Branden, Brooks, Carter, Creamer, Creamer, Desiraju, Eisenhaber, Eriksson, Essmann, Feller, Fernandez-Recio, Fernando Falo, Fersht, Fersht, Fersht, Fillat, Fukuyama, Genzor, Genzor, Guerois, Honig, Horovitz, Hubbard, Irun, Irun, Javier Sancho, Jeffrey, Jon López-Llano, Jorgensen, Koehl, Koradi, Krivov, Langdon, Lee, Lesk, Lostao, Lostao, Luis A. Campos, Luisi, Ma, Maldonado, Maldonado, Maldonado, Matsumura, Myers, Pace, Paterlini, Perl, Pinker, Rao, Richards, Rickaert, Sanchez-Ruiz, Santiago Cuesta-López, Santoro, Schiffer, Sharp, Shi, Smith, Vajda, Vajda, Weng, Xie, Yang, Yi, Zagrovic, Zielenkiewicz   +68 more
core   +3 more sources

Adenosine A3 receptor antagonists as anti‐tumor treatment in human prostate cancer: an in vitro study

FEBS Open Bio, EarlyView.
The A3 adenosine receptors (A3ARs) are overexpressed in prostate cancer. AR 292 and AR 357, as A3AR antagonists, are capable of blocking proliferation, modulating the expression of drug transporter genes involved in chemoresistance, ferroptosis, and the hypoxia response, and inducing cell death.
Maria Beatrice Morelli, Andrea Spinaci, Cui Chang, Rosaria Volpini, Catia Lambertucci, Matteo Landriscina, Vincenza Conteduca, Consuelo Amantini, Cristina Aguzzi, Laura Zeppa, Martina Giangrossi, Laura Soverchia, Matteo Santoni, Massimo Nabissi, Giorgio Santoni, Carlo Polidori   +15 more
wiley   +1 more source

1,5-Bis[1-(2,4-dihydroxyphenyl)ethylidene]carbonohydrazide dimethylformamide disolvate

Acta Crystallographica Section E, 2010
In the title compound, C17H18N4O5·2C3H7NO, two solvent molecules are linked to the main molecule via N—H...O and O—H...O hydrogen bonds, forming a hydrogen-bonded trimer.
Qing-Peng He, Bo Tan, Ze-Hua Lu
doaj   +1 more source

Site selectivity of halogen oxygen bonding in 5- and 6-haloderivatives of uracil [PDF]

, 2019
Seven 5-and 6-halogenated derivatives of uracil or 1-methyluracil (halogen = Cl, Br, I) were studied by single crystal X-ray diffraction. In contrast with pure 5-halouracils, where the presence of N-H…O and C-H…O hydrogen bonds prevents the formation ...
Portalone, Gustavo
core   +1 more source