In the allosteric binding site, hydrophobic interaction was the main binding force. The Asn142, Val145, Leu146, Pro152, and Phe179 residues of Stp1 were found to play a critical role in the binding of corilagin with Stp1. In this study, we used MD simulation to reveal the ligand-protein interactions, providing a theoretical basis. This research work, thus, lays down the foundation for the development of new Stp1 inhibitors to be utilized in the future.We propose a method to maintain the symmetry condition of the refractive index with respect to a dielectric buffer layer for a long-range surface plasmon resonance (LRSPR) configuration. The symmetry condition was maintained by changing the concentration of the ethylene glycol aqueous solution (sample buffer layer) to match the refractive index of the MgF2 film. Maintenance of the symmetry condition is necessary for exciting the LRSPR mode and increasing the electric field intensity near the film. We used a four-phase Kretschmann resonance setup composed of a K9 prism, MgF2 film, Ag film, and sample buffer layer. The incident angle-dependent surface-enhanced Raman scattering (SERS) spectra were measured in the evanescent field. NVP-2 price At the SPR angle, the SERS signal of the symmetric configuration was 60 times higher than that of the conventional SPR configuration. Moreover, the electric field penetration depth of the symmetric long-range surface plasmon configuration (>1000 nm) was longer than that of their asymmetric counterparts. The enhancement factor of the symmetric configuration was 8.6 × 107, which corresponded to the lowest detectable concentration for 4-mercaptopyridine, reaching 1.0 × 10-10 M at the resonance angle. Thus, the symmetric LRSPR configuration has great potential for label-free sensing and detection of macromolecules and biomolecules.Furosemide is a widely used diuretic for treating excessive fluid accumulation caused by disease conditions like heart failure and liver cirrhosis. Furosemide tablet formulation exhibits variable pharmacokinetics (PK) with bioavailability ranging from 10 to almost 100%. To explain the variable absorption, we integrated the physicochemical, in vitro dissolution, permeability, distribution, and the elimination parameters of furosemide in a physiologically-based pharmacokinetic (PBPK) model. Although the intravenous PBPK model reasonably described the observed in vivo PK data, the reported low passive permeability failed to capture the observed data after oral administration. To mechanistically justify this discrepancy, we hypothesized that transporter-mediated uptake contributes to the oral absorption of furosemide in conjunction with passive permeability. Our in vitro results confirmed that furosemide is a substrate of intestinal breast cancer resistance protein (BCRP), multidrug resistance-associated protein 4 (MRP4), and organic anion transporting polypeptide 2B1 (OATP2B1), but it is not a substrate of P-glycoprotein (P-gp) and MRP2. We then estimated the net transporter-mediated intestinal uptake and integrated it into the PBPK model under both fasting and fed conditions. Our in vitro data and PBPK model suggest that the absorption of furosemide is permeability-limited, and OATP2B1 and MRP4 are important for its permeability across intestinal membrane. Further, as furosemide has been proposed as a probe substrate of renal organic anion transporters (OATs) for assessing clinical drug-drug interactions (DDIs) during drug development, the confounding effects of intestinal transporters identified in this study on furosemide PK should be considered in the clinical transporter DDI studies.Oligomeric-brush chains of helical lanthanide (Ln) complexes retain their structural and luminescent behavior after coating onto magnetic nanoparticles (MNPs) consisting of Fe3O4 covered with silicate. It is one of the type of bifunctional NPs exhibiting luminescence of Ln and superparamagnetism of Fe3O4. In comparison to a simple monolayer of complexes adsorbed on a modified surface, a layer made of luminescent chains allowed us to obtain a more intensive red/green luminescence originating from Eu3+/Tb3+ ions, and at the same time, no visible increase in particle size (compared to Fe3O4@silica particles) was observed. The luminescent properties of the Tb3+ complex were altered by MNPs; the decrease of the luminescence was not as large as expected, the excitation spectrum changed significantly, and the average luminescence lifetime was much longer at room temperature. Surprisingly, this phenomenon was not observed at 77 K and also did not occur for the Eu3+ complexes. The possibility to stack building blocks in a chain using complexes of different lanthanide ions can be used to design novel multifunctional nanosystems.Two controlled-released fertilizers of phosphorylated alginate grafted with polyacrylamide (P-Alg-g-PAM) were synthesized. Monoammonium phosphate (MAP) and diammonium phosphate (DAP) were reacted with a matrix of sodium alginate (Alg) and poly(vinyl alcohol) (PVA). The phosphorylated matrix was then grafted with acrylamide. The obtained fertilizer materials showed excellent water absorbance. The controlled-release behavior of phosphorylated alginate grafted with polyacrylamide (P-Alg-g-PAM) was investigated at normal pH and 25 °C. The fertilizer materials exhibited release of phosphorus up to 77% for the MAP sample and up to 57% for the DAP sample till the forty fifth day of the application at pH 7 and 25 °C. More importantly, when the release experiments were conducted in calcium chloride medium, the fertilizers were able to release phosphorus efficiently with slight decrease until the forty fifth day of the application, suggesting that the presence of Alg in the fertilizer formulation may help in extending the duration for which phosphorus is available to the plant.Triple-negative breast cancer (TNBC) is one of the most malignant cancers associated with early metastasis, poor clinical prognosis, and high recurrence rate. TNBC is a distinct subtype of breast cancer that lacks estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor 2 receptors (HER2). Development of effective TNBC therapies has been limited partially due to the lack of specific molecular targets and chemotherapy involving different cytotoxic drugs suffers from significant side effects and drug-resistance development. Therefore, there is an unmet need for the development of novel and efficient therapeutic drugs with reduced side effects to treat TNBC. We have previously reported that certain analogues of haloperidol (a typical antipsychotic drug used for treating mental/mood disorders such as schizophrenia and bipolar disorder) suppress the viability of a variety of solid tumor cell lines, and we have identified 4-(4-(4-chlorophenyl)-1,4-diazepan-1-yl)-1-(4-fluoro-phenyl)butan-1-one (SYA013) with such antiproliferative properties.