[HTML][HTML] The clinical toxicology of caffeine: A review and case study

C Willson - Toxicology reports, 2018 - Elsevier
Caffeine is a widely recognized psychostimulant compound with a long history of
consumption by humans. While it has received a significant amount of attention there is still …

Protein–ligand binding with the coarse-grained Martini model

PCT Souza, S Thallmair, P Conflitti… - Nature …, 2020 - nature.com
The detailed understanding of the binding of small molecules to proteins is the key for the
development of novel drugs or to increase the acceptance of substrates by enzymes …

Methylxanthines and neurodegenerative diseases: an update

D Janitschke, AA Lauer, CM Bachmann, HS Grimm… - Nutrients, 2021 - mdpi.com
Methylxanthines (MTX) are purine derived xanthine derivatives. Whereas naturally occurring
methylxanthines like caffeine, theophylline or theobromine are widely consumed in food …

Flavonoid-coated gold nanoparticles as efficient antibiotics against gram-negative bacteria—evidence from in silico-supported in vitro studies

HA Alhadrami, R Orfali, AA Hamed, MM Ghoneim… - Antibiotics, 2021 - mdpi.com
Flavonoids are a class of bioactive plant-derived natural products that exhibit a broad range
of biological activities, including antibacterial ones. Their inhibitory activity toward Gram …

Current therapeutic targets and multifaceted physiological impacts of caffeine

X Song, N Kirtipal, S Lee, P Malý… - Phytotherapy …, 2023 - Wiley Online Library
Caffeine, which shares consubstantial structural similarity with purine adenosine, has been
demonstrated as a nonselective adenosine receptor antagonist for eliciting most of the …

Fengycin induces ion channels in lipid bilayers mimicking target fungal cell membranes

AA Zakharova, SS Efimova, VV Malev… - Scientific Reports, 2019 - nature.com
The one-sided addition of fengycin (FE) to planar lipid bilayers mimicking target fungal cell
membranes up to 0.1 to 0.5 μM in the membrane bathing solution leads to the formation of …

Antibacterial alkylguanidino ureas: Molecular simplification approach, searching for membrane-based MoA

I D'Agostino, C Ardino, G Poli, F Sannio… - European Journal of …, 2022 - Elsevier
The ever-faster rise of antimicrobial resistance (AMR) represents a major global Public
Health challenge. New chemical entities with innovative Modes of Action (MoAs) are thus …

[HTML][HTML] Dioctadecyldimethylammonium bromide, a surfactant model for the cell membrane: Importance of microscopic dynamics

VK Sharma, H Srinivasan, V García Sakai… - Structural Dynamics, 2020 - pubs.aip.org
Cationic lipid membranes have recently attracted huge attention both from a fundamental
point of view and due to their practical applications in drug delivery and gene therapy. The …

Microscopic view of lipids and their diverse biological functions

PC Wen, P Mahinthichaichan, N Trebesch… - Current opinion in …, 2018 - Elsevier
Biological membranes and their diverse lipid constituents play key roles in a broad spectrum
of cellular and physiological processes. Characterization of membrane-associated …

Alkaloids modulate the functioning of ion channels produced by antimicrobial agents via an influence on the lipid host

SS Efimova, AA Zakharova… - Frontiers in Cell and …, 2020 - frontiersin.org
It is widely recognized that an alteration in membrane physical properties induced by the
adsorption of various drugs and biologically active compounds might greatly affect the …