Dengue virus (DENV) is a mosquito-borne RNA virus that causes serious illness in humans, ranging from mild fever to severe clinical manifestations, with dengue virus type 2 (DENV-2) being the most virulent among its four serotypes. Despite extensive...
The activity of microsomal cytochromes P450 (CYP) is strictly dependent on the supply of electrons provided by NADPH cytochrome P450 oxidoreductase (CPR). The variant nature of the isoform-specific proximal interface of microsomal CYPs implies that t...
Bendamustine (BENDA) is a bifunctional alkylating agent with alkylating and purinergic antitumor activity, which exerts its anticancer effects by direct binding to DNA, but the detailed mechanism of BENDA–DNA interaction is poorly understood. I...
As a polyene antibiotic of great pharmaceutical significance, pimaricin has been extensively studied to enhance its productivity and effectiveness. In our previous studies, pre-reaction state (PRS) has been validated as one of the significant conform...
Protein phosphorylation is an important chemical modification catalyzed by kinases. It plays important roles in many cellular processes. Predicting kinase–substrate interactions is vital to understanding the mechanism of many diseases. Many com...
Intramembrane proteases, such as γ secretase, typically recruit multiple substrates from an excess of single-span membrane proteins. It is currently unclear to which extent substrate recognition depends on specific interactions of their transme...
In this study, we utilized a terahertz chemical microscope (TCM) to map surface potential changes induced by molecular interactions on silicon-on-sapphire (SOS) substrates. By functionalizing the SOS substrate with DNA aptamers and an ion-selective m...
Enzyme–substrate interactions play a fundamental role in elucidating synthesis pathways and synthetic biology, as they allow for the understanding of important aspects of a reaction. Establishing the interaction experimentally is a slow and cos...
This study investigates the intricate dynamics of matrix stiffness, substrate composition, and cell–cell interactions and elucidates their cumulative effects on fibroblast behavior in different culture contexts. Three primary substrate types we...
Small molecules targeting aberrant anaplastic lymphoma kinase (ALK) are active against ALK-positive non-small-cell lung cancers and neuroblastoma. Several targeted tyrosine kinase inhibitors (TKIs) have been shown to interact with polyspecific organi...
Efficient deposition of biomolecules on the surface, maintaining their full activity and stability, is a most significant factor in biosensor construction. For this reason, more and more research is focused on the development of electrochemical biose...
Interface properties of iron phthalocyanine (FePc) and perfluorinated iron phthalocyanine (FePcF16) on rutile TiO2(100) and TiO2(110) surfaces were studied using X-ray photoemission spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and low-ene...
It is well known that living cells interact mechanically with their microenvironment. Many basic cell functions, like migration, proliferation, gene expression, and differentiation, are influenced by external forces exerted on the cell. That is why i...
Based on DFT+DMFT calculations, we explore the interplay between electron correlations, lattice disorder and substrate–film interaction on the Mo-
Glycoside hydrolase family 10 (GH10) xylanases are responsible for enzymatic cleavage of the internal glycosidic linkages of the xylan backbone, to generate xylooligosaccharides (XOS) and xyloses. The topologies of active-site cleft determine the sub...
Background/Objectives: Index substrates are used to understand the processes involved in pharmacokinetic (PK) drug–drug interactions (DDIs). The aim of this analysis is to review metabolite measurement in clinical DDI studies, focusing on index...
Root exudation is an important plant process by which roots release small molecules into the rhizosphere that serve in overall plant functioning. Yet, there is a major gap in our knowledge in translating plant root exudation in artificial systems (i....
The cold atmospheric pressure plasma jet interaction with the bio-target is studied in the plasma experiment, 2D fluid model simulations, and with MTT and iCELLigence assays of the viability of cancer cells. It is shown, for the first time, that the...
Small molecules, such as solvent, substrate, and cofactor molecules, are key players in enzyme catalysis. Computational methods are powerful tools for exploring the dynamics and thermodynamics of these small molecules as they participate in or contri...
Superhydrophilic and superhydrophobic substrates are widely known to inhibit the attachment of a variety of motile and/or nonmotile bacteria. However, the thermodynamics of attachment are complex. Surface energy measurements alone do not address the...
Placing nanowires at the predetermined locations on a substrate represents one of the significant hurdles to be tackled for realization of heterogeneous nanowire systems. Here, we demonstrate spatially-controlled assembly of a single nanowire at the...
Streptomyces rimosus extracellular lipase (SrL) is a multifunctional hydrolase belonging to the SGNH family. Here site-directed mutagenesis (SDM) was used for the first time to investigate the functional significance of the conserved amino acid resid...
Purslane is highly suitable for intensive microgreen cultivation due to its rapid growth, high germination rate, and exceptional nutritional profile, including omega-3 fatty acids, essential vitamins, and minerals. While previous studies have mostly...
Various peptides or non-structural amino acids are recognized by their specific target proteins, and perform a biological role in various pathways in vivo. Understanding the interactions between target protein and peptides (or non-structural amino ac...
Replacing peat in green roof substrates with sustainable alternatives while maintaining plant performance and ecosystem services remains a critical challenge. We studied biochar-substrate interactions across four commercial green roof formulations (b...
Understanding possible follow-up actions on in vitro findings helps determine the necessity of labeling for drug interactions. We analyzed information for in vitro findings on transporter-mediated interactions of drugs approved by the U.S. Food and D...
The antihypertensive felodipine is a calcium channel blocker of the dihydropyridine type, and its pharmacodynamic effect directly correlates with its plasma concentration. As a sensitive substrate of cytochrome P450 (CYP) 3A4 with high first-pass met...
CYP 3A4 and CYP 3A5 are two important members of the human cytochrome P450 family. Although their overall structures are similar, the local structures of the active site are different, which directly leads to obvious individual differences in drug me...
This study investigates the diversity and ecological dynamics of macroalgae in Maxwell Bay, King George Island, Antarctica, focusing on species distribution, substrate composition, and interspecific interactions. Across nine survey sites, 31 macroalg...
The human cytochrome P450 (CYP) 2C9 and 2C19 enzymes are two highly similar isoforms with key roles in drug metabolism. They are anchored to the endoplasmic reticulum membrane by their N-terminal transmembrane helix and interactions of their cytoplas...
The formation of the substrate surface potential based on the Lennard-Jones two-particle potential is investigated in this paper. A simple atom’s square lattice on the substrate surface is considered. The periodic potential of the substrate ato...
The human ABCB1 (P-glycoprotein, Pgp) protein is an active exporter expressed in the plasma membrane of cells forming biological barriers. In accordance with its broad substrate spectrum and tissue expression pattern, it affects the pharmacokinetics...
Cytochrome P450 monooxygenases (CYPs; P450s) are a superfamily of heme-containing enzymes that are recognized for their vast substrate range and oxidative multifunctionality. CYP107 family members perform hydroxylation and epoxidation processes, prod...
The problematic opportunistic pathogen Pseudomonas aeruginosa secretes a siderophore, pyoverdine. Pyoverdine scavenges iron needed by the bacteria for growth and for pathogenicity in a range of different infection models. PvdF, a hydroxyornithine tra...
Perovskite solar cells (PSCs) have emerged as a promising photovoltaic technology, yet their stability under environmental stressors remains a critical challenge. This study examines the substrate-dependent degradation mechanisms of perovskite films...
In an ageing society, polypharmacy has become a major public health and economic issue. Overuse of medications, especially in patients with chronic diseases, carries major health risks. One common consequence of polypharmacy is the increased emergenc...
The human cytomegalovirus (HCMV)-encoded protein kinase, pUL97, is considered a cyclin-dependent kinase (CDK) ortholog, due to shared structural and functional characteristics. The primary mechanism of CDK activation is binding to corresponding cycli...
Xenobiotic reductase B (XenB) catalyzes the reduction of the aromatic ring or nitro groups of nitroaromatic compounds with methyl, amino or hydroxyl radicals. This reaction is of biotechnological interest for bioremediation, the reuse of industrial w...
Cardiovascular diseases (CVDs) remain a leading cause of mortality worldwide, and ageing is strongly associated with progressive arterial stiffening. Age-related alterations in extracellular matrix (ECM) mechanics influence vascular smooth muscle cel...
The development of bio-based adhesives as sustainable alternatives to synthetic formulations presents a significant opportunity for advancing environmental sustainability in packaging applications. This research aimed to develop and evaluate a bio-ba...
This work reports the interlayer difference of exciton and phonon performance between the top and bottom layer of a bilayer-stacked two-dimensional materials structure (BSS). Through photoluminescence (PL) and Raman spectroscopy, we find that, compar...
Effective thermal management is essential in metal additive manufacturing to ensure process stability and desirable material properties. Directed energy deposition using a laser beam and wire (DED-LB/w) enables the production of large, high-performan...
Lignocellulosic agro-forestry residues (LARs), such as rice straw, sugarcane bagasse, and wood wastes, are abundant and low-cost feedstocks for polyhydroxyalkanoate (PHA) bioplastics. However, their complex cellulose–hemicellulose–lignin...
The substrate-independence theory utilizes sensemaking techniques to provide cognitively based scaffolds that guide and structure learning. Scaffolds are cognitive abstractions of constraints that relate to information within a system. The substrate-...
The electronic and transport properties of epitaxial graphene are dominated by the interactions the material makes with its surroundings. Based on the transport properties of epitaxial graphene on SiC and 3C-SiC/Si substrates reported in the literatu...
The dynamic response of a polyvinylidene fluoride (PVDF) cantilever beam under excitation of water droplet impact is investigated by developing an electromechanical model. In the model, the governing equations of beam motion and output voltage are de...
Cancer has a threatening impact on human health, and it is one of the primary causes of fatalities worldwide. Different conventional treatments have been employed to treat cancer, but their non-specific nature reduces their therapeutic efficacy. This...
S-adenosyl-l-homocysteine hydrolase (SAHase) is a major regulator of cellular methylation reactions that occur in eukaryotic and prokaryotic organisms. SAHase activity is also a significant source of l-homocysteine and adenosine, two compounds involv...
The Escherichia coli ATP-dependent ClpYQ protease constitutes ClpY ATPase/unfoldase and ClpQ peptidase. The Tyr91st residue within the central pore-I site of ClpY-hexamer is important for unfolding and translocating substrates into the catalytic site...
Mitochondrial carriers, which transport metabolites, nucleotides, and cofactors across the mitochondrial inner membrane, have six transmembrane α-helices enclosing a translocation pore with a central substrate binding site whose access is contr...
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