Results 61 to 70 of about 1,965,985 (318)

Molecular interaction of fenvalarate with actin [PDF]

Bioinformation, 2011
The structure of α-Cyano-3-phenoxybenzyl-2-(4-chlorophenyl)-3-methylbutyrate (Fenvalarate) has been established by X-ray crystallography to understand the structure-activity relationship, which is of paramount importance in the toxicological studies of the compound. Fenvalarate is stabilized by intermolecular C-H…O, C-H…Cl, C-H…π and C-H…N interactions
Prashantha Karunakar, V. Krishnamurthy, C.R. Girija, V. Krishna, D.E. Vasundhara, Noor Shahina Begum, Akheel Ahmed Syed   +6 more
openaire   +2 more sources

Comparative Evaluation of Hemodiafiltration, Hemoperfusion, and Standard Hemodialysis on Efficacy, Inflammatory Control, Dialysis Adequacy, and Safety in End‐Stage Renal Disease: A Prospective Observational Study

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Background Chronic micro‐inflammation in patients with end‐stage renal disease (ESRD) is a significant driver of cardiovascular complications and diminished quality of life. While standard hemodialysis (SHD) effectively manages small‐molecule clearance, its ability to remove medium‐to‐large uremic toxins—the primary catalysts of systemic ...
Hongwei Zuo, Weisi Dai, Jie Mao, Mei Ye, Xingshan Lu, Xiaocui Zhang   +5 more
wiley   +1 more source

Revealing the molecular signatures of host-pathogen interactions. [PDF]

, 2011
Advances in sequencing technology and genome-wide association studies are now revealing the complex interactions between hosts and pathogen through genomic variation signatures, which arise from evolutionary co ...
Martin L Hibberd, Khor, C.-C., Hibberd, Martin L, Chiea-Chuen Khor, Hibberd, M.L., Khor, Chiea-Chuen   +5 more
core   +1 more source

Capturing Molecular Interactions in Graph Neural Networks: A Case Study in Multi-Component Phase Equilibrium [PDF]

, 2022
Graph neural networks (GNNs) have been widely used for predicting molecular properties, especially for single molecules. However, when treating multi-component systems, GNNs have mostly used simple data representations (concatenation, averaging, or self ...
Victor, Zavala, Jianping, Li, Shengli, Jiang, Reid, Van Lehn, Shiyi, Qin, Prasanna, Balaprakash   +5 more
core   +1 more source

Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations

MethodsX, 2023
Nowadays, molecular dynamics (MD) simulations of proteins with hundreds of thousands of snapshots are commonly produced using modern GPUs. However, due to the abundance of data, analyzing transport tunnels present in the internal voids of these molecules,
Carlos Sequeiros-Borja, Bartlomiej Surpeta, Igor Marchlewski, Jan Brezovsky   +3 more
doaj   +1 more source

Enteropathogenic E. coli shows delayed attachment and host response in human jejunum organoid‐derived monolayers compared to HeLa cells

FEBS Letters, EarlyView.
Enteropathogenic E. coli (EPEC) infects the human intestinal epithelium, resulting in severe illness and diarrhoea. In this study, we compared the infection of cancer‐derived cell lines with human organoid‐derived models of the small intestine. We observed a delayed in attachment, inflammation and cell death on primary cells, indicating that host ...
Mastura Neyazi, Pilar Samperio Ventayol, Natalie Burkard, Nicolas Schlegel, Carmen Aguilar, Sina Bartfeld   +5 more
wiley   +1 more source

Interactions of Gold and Silver Nanoparticles with Bacterial Biofilms: Molecular Interactions behind Inhibition and Resistance [PDF]

, 2020
Many bacteria have the capability to form a three-dimensional, strongly adherent network called ‘biofilm’. Biofilms provide adherence, resourcing nutrients and offer protection to bacterial cells.
Joshi, Abhayraj S., Abhayraj S. Joshi, Joshi, Abhayraj Shrikrishna, Mijakovic, Ivan, Ivan Mijakovic, Joshi, Abhayraj S.,, Singh, Priyanka,, Singh, Priyanka, Mijakovic, Ivan,, Priyanka Singh   +9 more
core   +1 more source

Organoids in pediatric cancer research

FEBS Letters, EarlyView.
Organoid technology has revolutionized cancer research, yet its application in pediatric oncology remains limited. Recent advances have enabled the development of pediatric tumor organoids, offering new insights into disease biology, treatment response, and interactions with the tumor microenvironment.
Carla Ríos Arceo, Jarno Drost
wiley   +1 more source

Computational Analyses of Protein-Ligand Interactions [PDF]

, 2010
Protein-ligand interactions have a central role in all processes in living systems. A comprehensive understanding of protein interactions with small molecules is of great interest as it provides opportunities for understanding protein function and ...
Haider, Kamran
core  

Reciprocal control of viral infection and phosphoinositide dynamics

FEBS Letters, EarlyView.
Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley   +1 more source