Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance
G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …
composition and structure, functional over a wide range of time scales, and characterized by …
P450-driven plastic-degrading synthetic bacteria
Plastic contamination currently threatens a wide variety of ecosystems and presents
damaging repercussions and negative consequences for many wildlife species. Sustainable …
damaging repercussions and negative consequences for many wildlife species. Sustainable …
Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …
context of the role that the lipid membrane can play in drug action, ie, the interaction …
Protein engineering: the potential of remote mutations
Engineered proteins, especially enzymes, are now commonly used in many industries
owing to their catalytic power, specific binding of ligands, and properties as materials and …
owing to their catalytic power, specific binding of ligands, and properties as materials and …
Pregnane X receptor mediates sorafenib resistance in advanced hepatocellular carcinoma
F Feng, Q Jiang, S Cao, Y Cao, R Li, L Shen… - … et Biophysica Acta (BBA …, 2018 - Elsevier
Background Kinase inhibitor sorafenib is the most widely used drug for advanced HCC
clinical treatment nowadays. However, sorafenib administration is only effective for a small …
clinical treatment nowadays. However, sorafenib administration is only effective for a small …
Ligand access channels in cytochrome P450 enzymes: A review
Quantitative structure-activity relationships may bring invaluable information on structural
elements of both enzymes and substrates that, together, govern substrate specificity. Buried …
elements of both enzymes and substrates that, together, govern substrate specificity. Buried …
Entropic contribution to enhanced thermal stability in the thermostable P450 CYP119
The enhanced thermostability of thermophilic proteins with respect to their mesophilic
counterparts is often attributed to the enthalpy effect, arising from strong interactions …
counterparts is often attributed to the enthalpy effect, arising from strong interactions …
[HTML][HTML] Beyond active site residues: overall structural dynamics control catalysis in flavin-containing and heme-containing monooxygenases
MJLJ Fürst, F Fiorentini, MW Fraaije - Current opinion in structural biology, 2019 - Elsevier
Highlights•Monooxygenases (MOs) face a challenging reaction, requiring the coordination
of three substrates by the same active site.•To address this challenge, these enzymes …
of three substrates by the same active site.•To address this challenge, these enzymes …
Key regulators in the architecture of substrate access/egress channels in mammalian cytochromes P450 governing flexibility in substrate oxyfunctionalization
P Hlavica - Journal of Inorganic Biochemistry, 2023 - Elsevier
Cytochrome P450s (CYP) represent a superfamily of b-type hemoproteins catalyzing
oxifunctionalization of a vast array of endogenous and exogenous compounds. The present …
oxifunctionalization of a vast array of endogenous and exogenous compounds. The present …
[HTML][HTML] Dermal Delivery of Selected Polyphenols from Silybum marianum. Theoretical and Experimental Study
P Kosina, M Paloncýová, A Rajnochová Svobodová… - Molecules, 2018 - mdpi.com
Silymarin is a well-known standardized extract from the seeds of milk thistle (Silybum
marianum L., Asteraceae) with a pleiotropic effect on human health, including skin …
marianum L., Asteraceae) with a pleiotropic effect on human health, including skin …