Results 111 to 120 of about 551,885 (316)

Organizing the interface—Plasma membrane architecture and receptor dynamics in virus‐cell interactions

FEBS Letters, EarlyView.
Plasma membranes contain dynamic nanoscale domains that organize lipids and receptors. Because viruses operate at similar scales, this architecture shapes early infection steps, including attachment, receptor engagement, and entry. Using influenza A virus and HIV‐1 as examples, we highlight how receptor nanoclusters, multivalent glycan interactions ...
Jan Schlegel, Christian Sieben
wiley   +1 more source

QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design [PDF]

Machine-learning (ML) and deep-learning (DL) approaches to predict the molecular properties of small molecules are increasingly deployed within the design-make-test-analyze (DMTA) drug design cycle to predict molecular properties of interest.
Voronov, Alexey,, Kabeshov, Mikhail,, Engkvist, Ola,, Voronov, Alexey, Mervin, Lewis H.,, Mervin, Lewis, Kabeshov, Mikhail   +6 more
core   +1 more source

Molecular modelling of fentanyl analogs

Journal of the Serbian Chemical Society, 2004
Fentanyl is a highly potent and clinically widely used narcotic analgesic. A large number of its analogs have been synthesized, some of which (sufentanil and alfentanyl) are also in clinical use. Theoretical studies, in recent years, afforded a better understanding of the structure-activity relationships of this class of opiates and allowed insight ...
openaire   +3 more sources

Epigenetic blind spots – the role of DNA methylation dynamics in stem cell‐based models of embryogenesis

FEBS Letters, EarlyView.
Embryo‐like structures (stembryos) are an innovative tool, but they are hindered by experimental variability and limited developmental potential. DNA methylation is crucial for mammalian development, but its status in stembryo models is poorly characterized.
Sara Canil, Anna Corrà, Annalisa Scapolatiello, Chengxiang Qiu, Gianluca Amadei   +4 more
wiley   +1 more source

Residual tail twisting in ascidian larvae is stabilized by asymmetric myofibrils that resist bilateral symmetry restoration

FEBS Letters, EarlyView.
Ascidian Ciona larvae initially show strong clockwise tail twisting, which is largely corrected during development. However, a small residual twist remains. This study shows that organized helical myofibrils in tail muscles mechanically stabilize this residual asymmetry, preventing complete restoration of bilateral symmetry and revealing how embryos ...
Yuki S. Kogure, Misaki K. Nishio, Satoru Okuda, Kohji Hotta   +3 more
wiley   +1 more source

Docking, molecular dynamics and quantitative structure-activity relationship studies for HEPTs and DABOs as HIV-1 reverse transcriptase inhibitors [PDF]

, 2012
As a key component in combination therapy for acquired immunodeficiency syndrome (AIDS), non-nucleoside reverse transcriptase inhibitors (NNRTIs) have been proven to be an essential way in stopping HIV-1 replication.
Zhang, Shuwei, Mao, Yating, Ai, Chunzhi, Li, Yan, Hao, Ming   +4 more
core   +1 more source

Modeling predicts facile release of nitrite but not nitric oxide from the thionitrate CH3SNO2 with relevance to nitroglycerin bioactivation

Scientific Reports
Nitroglycerin is a potent vasodilator in clinical use since the late 1800s. It functions as a prodrug that is bioactivated by formation of an enzyme-based thionitrate, E–Cys–NO2.
Vinod Parmar, Esam A. Orabi, Ann M. English, Gilles H. Peslherbe   +3 more
doaj   +1 more source

Model Selection and the Molecular Clock

PLoS Biology, 2006
A brief overview of the methods used to determine phylogenetic distances sets the stage for understanding new research published in PLoS Biology.
openaire   +4 more sources

The human gut microbiome across the life course

FEBS Letters, EarlyView.
Despite significant individual variation and continuous change throughout life, the human gut microbiome follows some life stage‐specific trends. This article provides a brief overview of how gut microbiome composition shifts across different phases of life. Created in BioRender. Özkurt, E. (2026) https://BioRender.com/8q4nrnc.
Alise J. Ponsero, Basak Bahcivanci, Antonietta Hayhoe, Animesh Acharjee, Ezgi Özkurt   +4 more
wiley   +1 more source

Computational strategies for unraveling insights from known inhibitors for further lead optimization: A case study on Celecoxib analogues

Scientific Reports
Inhibition of Cyclooxygenase-2 (COX-2) represents a well-established and promising strategy in the development of anti-inflammatory drugs, given its pivotal role in mediating inflammation. Selective inhibition of COX-2 over COX-1 is critical for reducing
Sonam Grewal, Biswayan Ghosh, Ujjwal Narayan, Polamarasetty Aparoy   +3 more
doaj   +1 more source