Potential application of bisoprolol derivative compounds as antihypertensive drugs: synthesis and in silico study.

Two bisoprolol derivatives, N-acetyl bisoprolol and N-formyl bisoprolol, belonging to the beta-blocker class of antihypertensive drugs, were synthesized using acetylation and formylation reactions. The yields of the reactions were determined to be 32.40% for N-acetyl bisoprolol and 20.20% for N-formyl bisoprolol. In silico methods such as molecular docking, molecular dynamics simulation and SwissADME prediction were employed to evaluate the potential of these bisoprolol derivatives as antihypertensive drugs. These methods were used to assess the interaction between the bisoprolol derivatives and various receptors associated with hypertension, including human angiotensin I-converting enzyme (PDB ID: 1O8A), renin (PDB ID: 2V0Z), beta-1 adrenergic receptors (PDB ID: 4BVN, 7BVQ), voltage-dependent L-type calcium channel subunit alpha-1S (PDB ID: 6JP5) and mineralocorticoid receptor (PDB ID: 6L88). Our results demonstrated the highest binding energy when bisoprolol and its derivatives bound to 4BVN, with binding energy values of 6.74 kcal mol-1, 7.03 kcal mol-1 and 7.63 kcal mol-1 for bisoprolol, N-acetyl bisoprolol and N-formyl bisoprolol, respectively. The stability of these complexes was confirmed by molecular dynamics simulations, with a root-mean-square deviation value of approximately 2. Furthermore, the SwissADME results indicated that both derivatives exhibited similar properties to the reference drug bisoprolol.

The enhancement of dye filtration performance and antifouling properties in amino-functionalized bentonite/polyvinylidene fluoride mixed matrix membranes.

Trade-off issue and membrane fouling remain two major issues in the utilization of membrane technology for the water treatment due to reduced membrane permeability and lifetime. In our study, we employed 3-aminopropyltriethoxysilane modified bentonite (BNTAPS) as an anti-fouling modifier to prepare polyvinylidene fluoride (PVDF)-based membranes via the phase inversion method. The effects of BNTAPS concentration on the physical, mechanical, morphological, and filtration performance of the hybrid membranes have been investigated. It was found that the addition of BNTAPS improved the hydrophilicity of the membrane revealed by the decreased water contact angle. Consequently, the pure water flux of PVDF membrane containing 0.5% BNTAPS (PVDF/BNTAPS0.5%) increased to 35.5 L m-2 h-1. Moreover, the PVDF/BNTAPS membrane showed a smaller pore diameter and porosity compared to pristine PVDF. The membrane performance evaluation was carried out using cationic and anionic dyes, i.e., methylene blue (MB) and acid yellow (AY17), respectively. Our study revealed that the rejection of each dye was slightly increased for the PVDF/BNTAPS0.5%. However, the flux recovery rate of the PVDF/BNTAPS membrane significantly improved, which directly prolonged the membrane lifetime.

The performance of 1,3-dipropyl-2-(2-propoxyphenyl)-4,5-diphenylimidazolium iodide based ionic liquid for biomass conversion into levulinic acid and formic acid.

Ionic liquid (IL) demonstrates better performance as a solvent in the biomass conversion process than conventional organic solvents. This study focuses on the application of new hydrophobic imidazolium-based IL as a solvent in biomass conversion process. A novel IL, namely, 1,3-dipropyl-2-(2-propoxyphenyl)-4,5-diphenylimidazolium iodide ([DPDIm]I), was synthesized and subsequently used as a solvent for biomass conversion to produce levulinic acid (LA) and Formic Acid (FA). The performance of [DPDIm]I supported by H2SO4 as a solvent was shown by cellulose conversion into 94.23% of LA and 18.85% of FA at the optimum conditions of 140 °C temperature and the reaction time of two hours. A reusability test revealed the performance of [DPDIm]I as a solvent that can be recycled up to five timesfor biomass conversion.

Heterologous Ectoine Production in Escherichia coli: Optimization Using Response Surface Methodology.

INTRODUCTION: A halophilic bacterium of the Halomonas elongata BK-AG25 has successfully produced ectoine with high productivity. To overcome the drawbacks of high levels of salt in the production process, a nonhalophilic bacteria of Escherichia coli (E. coli) was used to express the ectoine gene cluster of the halophilic bacteria, and the production of ectoine by the recombinant cell was optimized. METHODS: The ectoine gene cluster from the halophilic bacterium was isolated and inserted into an expression plasmid of pET30(a) and subsequently transformed into E. coli BL21 (DE3). Production of ectoine from the recombinant E. coli was investigated and then maximized by optimizing the level of nutrients in the medium, as well as the bioprocess conditions using response surface methodology. The experimental designs were performed using a central composite design. RESULTS: The recombinant E. coli successfully expressed the ectoine gene cluster of Halomonas elongata BK-AG25 under the control of the T7 promoter. The recombinant cell was able to produce ectoine, of which most were excreted into the medium. The optimization of ectoine production with the response surface methodology showed that the level of salt in the medium, the incubation temperature, the optical density of the bacteria before induction, and the final concentration of the inducer gave a significant effect on ectoine production by the recombinant E. coli. Interestingly, the level of salt in the medium and the incubation temperature showed an inverse effect on the production of intracellular and extracellular ectoine by the recombinant cell. At the optimum conditions, the production yield was about 418 mg ectoine/g cdw (cell dry weight) after 12 hours of incubation. CONCLUSION: This study is the first report on the expression of an ectoine gene cluster of Halomonas elongata BK-AG25 in E. coli BL21, under the control of the T7 promoter. Optimization of the level of nutrients in the medium, as well as the bioprocess condition using response surface methodology, has successfully increased the production of ectoine by the recombinant bacteria.

Immobilization of Mucor miehei Lipase onto Macroporous Aminated Polyethersulfone Membrane for Enzymatic Reactions.

Immobilization of enzymes is one of the most promising methods in enzyme performance enhancement, including stability, recovery, and reusability. However, investigation of suitable solid support in enzyme immobilization is still a scientific challenge. Polyethersulfone (PES) and aminated PES (PES-NH2) were successfully synthesized as novel materials for immobilization. Membranes with various pore sizes (from 10-600 nm) based on synthesized PES and PES-NH2 polymers were successfully fabricated to be applied as bioreactors to increase the immobilized lipase performances. The influence of pore sizes, concentration of additives, and the functional groups that are attached on the PES backbone on enzyme loading and enzyme activity was studied. The largest enzyme loading was obtained by Mucor miehei lipase immobilized onto a PES-NH2 membrane composed of 10% of PES-NH2, 8% of dibutyl phthalate (DBP), and 5% of polyethylene glycol (PEG) (872.62 µg/cm2). Hydrolytic activity of the immobilized lipases indicated that the activities of biocatalysts are not significantly decreased by immobilization. From the reusability test, the lipase immobilized onto PES-NH2 showed a better constancy than the lipase immobilized onto PES (the percent recovery of the activity of the lipases immobilized onto PES-NH2 and PES are 97.16% and 95.37%, respectively), which indicates that this novel material has the potential to be developed as a bioreactor for enzymatic reactions.