Results 81 to 90 of about 119,597,839 (255)

Re‐Purposing Sapropterin (Kuvan) for ACTA2‐Related Multisystemic Smooth Muscle Dysfunction Syndrome: A Translational Mechanistic and First‐In‐Human Therapeutic Report

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Multisystemic smooth muscle dysfunction syndrome (MSMDS) is an ultra‐rare, ACTA2‐related disorder characterized by severe cerebrovascular disease, aortic aneurysms, and smooth muscle dysfunction. Using molecular dynamics simulations and in silico drug screening, we identified that sapropterin dihydrochloride (Kuvan) is a candidate capable of ...
Moran Hausman‐Kedem, Noa Bielopolski, Vijai Krishnan, Shane Wald‐Altman, Shelly I Shrian, Omer Bar‐Yosef, Livia Kapusta, Claire Shamber, Patricia L. Musolino, Miguel Weil   +9 more
wiley   +1 more source

Design and in silico evaluation of new azo barbituric acid analogs as possible anticancer agents

, 2022
Design and in silico evaluation of new azo barbituric acid analogs as possible anticancer ...
Anees Pangal (14133303)
core   +1 more source

XTRUDE: A Process‐Informed Framework for High‐Fidelity Analysis of Hydrogel Extrusion

Advanced Functional Materials, EarlyView.
Extrusion performance emerges from the interplay between material properties and processing conditions. XTRUDE (eXTrusion Rheology for Understanding and Defining Extrudability) recreates the extrusion environment with in situ pressure and temperature sensing, enabling characteristic pressure signatures to quantify extrusion‐specific phenomena and ...
Farhad Sanaei, Pascal Bertsch, Juliette Lafosse, Sander C. G. Leeuwenburgh, Mani Diba   +4 more
wiley   +1 more source

Determinant moments for the design management occurrence in fashion industry [PDF]

, 2018
Design management has occupied a privileged place in debates related to the field of design and innovation in fashion industry. The apparel industry, in particular, presents a dynamic character, requiring constant updates on raw materials, changes in ...
Libânio, Cláudia de Souza, Amaral, Fernando Goncalves, Migowski, Sérgio Almeida, Fernando Gonçalves Amaral, Sérgio Almeida Migowski, Cláudia de Souza Libânio   +5 more
core   +1 more source

Endosomal Escape of siRNA Polyplexes: A Molecular Dynamics Perspective on Underlying Mechanisms

Advanced Functional Materials, EarlyView.
Molecular dynamics simulations reveal distinct endosomal escape mechanisms of siRNA nanoparticles, ranging from electrostatic membrane attachment to hydrophobic membrane fusion. Hydrophobic residues and anionic endosomal lipids emerge as key determinants of membrane disruption, linking molecular interactions to experimental delivery performance and ...
Katharina M. Steinegger, Min Jiang, Florian Belger, Fabian Link, Benjamin Winkeljann, Olivia M. Merkel   +5 more
wiley   +1 more source

Antimicrobial Peptides Against ESKAPE Pathogens: Mechanisms, Molecular Optimization, and Current Limitations

Future Pharmacology
ESKAPE pathogens represent a priority clinical threat due to their multidrug-resistance, persistence in biofilms, and ability to evade antibiotic therapy. In response to these limitations, antimicrobial peptides (AMPs) have emerged as promising platforms
Christian S. Carnero Canales, Miguel D’Agostino dos Santos, Ana Carolina Cerqueira Negri, Luiza Rossi Gois, Subham Kumar Vishwakarma, Cesar Augusto Roque-Borda, Fernando Rogério Pavan   +6 more
doaj   +1 more source

In silico experimental modeling of cancer treatment [PDF]

, 2012
In silico experimental modeling of cancer involves combining findings from biological literature with computer-based models of biological systems in order to conduct investigations of hypotheses entirely in the computer laboratory.
Trisilowati, Mallet, Daniel G.
core   +2 more sources

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Combined In Silico, In Vivo, and In Vitro Studies Shed Insights into the Acute Inflammatory Response in Middle-Aged Mice [PDF]

, 2013
We combined in silico, in vivo, and in vitro studies to gain insights into age-dependent changes in acute inflammation in response to bacterial endotoxin (LPS). Time-course cytokine, chemokine, and NO2-/NO3- data from "middle-aged" (6-8 months old) C57BL/
Vodovotz, Yoram, Derek Barclay, Ruben Zamora, Zamora, R, Bartels John, Billiar, TR, Yoram Vodovotz (59974), Billiar Timothy R., Rami A Namas, Vodovotz, Y, Derek Barclay (258485), Bartels, John, Rosemary Hoffman, Rami A. Namas, Barclay, Derek, Ruben Zamora (221654), Hoffman, Rosemary, Rami A. Namas (429290), Hoffman Rosemary, Billiar, Timothy R., Rosemary Hoffman (429291), Zamora Ruben, Timothy R Billiar, Namas Rami A., Yoram Vodovotz, Barclay Derek, Namas, RA, John Bartels (377805), Timothy R. Billiar (91972), Vodovotz Yoram, John Bartels, Namas, Rami A, Timothy R. Billiar, Zamora, Ruben, Hoffman, R, Barclay, D, Bartels, J   +36 more
core   +2 more sources