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The enzyme monoamine oxidase‐B (MAO‐B) significantly affects the neurotransmitter's metabolism, including norepinephrine, dopamine, and serotonin. Alzheimer's disease is the result of the dysregulation of MAO‐B activity, which is also attached to another neurological disorder, that is, Parkinson's disease. The MAO‐B antagonists are now seen as potential therapeutics for these conditions. A promising approach for improving the effectiveness of novel MAO inhibitors is using chromanone scaffolds. In this work, we used a multimodal computational approach to assess the inhibitory effects of chroman‐4‐one derivatives on MAO‐B. The study utilized molecular docking methodologies to investigate and evaluate the intricate binding interactions between MAO‐B and chroman‐4‐one derivatives. Moreover, the ADME study provided insightful information about the pharmacokinetic characteristics of chroman‐4‐one derivatives. The analysis of the temporal stability and dynamic behavior of ligand‐protein interactions has benefited from the application of MD simulations. To determine the binding free energies and gain a deeper comprehension of the binding affinity between chroman‐4‐one derivatives and MAO‐B, MM‐PBSA calculations were also performed. This study offers valuable information about logical design and the optimization of MAO‐B antagonists and highlights the potential of computational techniques in speeding up the drug discovery process. [ABSTRACT FROM AUTHOR]

The selective conversion of unsaturated compounds has emerged as a crucial method in chemical synthesis, enabling the synthesis of functional organic molecules. In recent decades, transition metal‐catalyzed hydrosilylation has emerged as a highly successful exemplar of industrialization within the realm of organic chemistry for the production of organosilanes, which have a pivotal role in organic chemistry and materials science. Precious metal complexes are typically employed as catalysts in most industrial hydrosilylation processes. The exploration of Earth‐abundant alternatives has emerged as a focal point of considerable research attention due to the high cost, poor selectivity, and many side reactions reported for precious metal catalysts. Ligand skeleton construction, selectivity, and mechanism research are areas where cobalt catalysts have more potential than iron and nickel. This review discusses the recent advances in cobalt‐catalyzed hydrosilylation across carbon‐carbon, carbon‐oxygen, and carbon‐nitrogen multiple bonds from 2019 to 2023. [ABSTRACT FROM AUTHOR]

Bismuth oxide nanoparticles with appropriate surface chemistry exhibit many interesting properties that can be utilized in a variety of applications. This paper describes a new route to the surface modification of bismuth oxide nanoparticles (Bi2O3 NPs) using functionalized beta-Cyclodextrin (β-CD) as a biocompatible system. The synthesis of Bi2O3 NP was done using PVA (poly vinyl alcohol) as the reductant and the Steglich esterification procedure for the functionalization of β-CD with biotin. Ultimately, the Bi2O3 NPs are modified using this functionalized β-CD system. The particle size of the synthesized Bi2O3 NPs is found to be in the range of 12–16 nm. The modified biocompatible systems were characterized using different characterization techniques such as Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and Differential Scanning Calorimetric analysis (DSC). Additionally, the antibacterial and anticancerous effects of the surface-modified Bi2O3 NP system were also investigated. [ABSTRACT FROM AUTHOR]