Environmentally friendly and efficient TBHP-mediated catalytic reaction for the synthesis of substituted benzimidazole-2-ones: In-silico approach to pharmaceutical applications.

A novel method was used to synthesize benzimidazole-2-ones from the corresponding benzimidazolium salts. These salts were subsequently reacted with potassium tertiary butoxide (KOtBu), followed by oxidation using tertiary butyl hydrogen peroxide (TBHP) at room temperature in tetrahydrofuran (THF) to obtain the desired products in 1 h with excellent yields. After optimizing the reaction conditions, the study focused on preparing benzimidazole-2-ones with diverse substituents at N1 and N3 positions, including benzyl, 2',4',6'-trimethyl benzyl groups, and long-chain aliphatic substituents (hexyl, octyl, decyl, and dodecyl). The compounds were characterized by 1H and 13C NMR spectra, of which compound 2a is supported by single crystal XRD. Benzimidazole-2-one compounds exhibited promising anti-inflammatory and anti-cancer properties. The inhibition of mitochondrial Heat Shock Protein 60 (HSP60) of title compounds was also explored. Computational simulations were employed to assess anti-cancer properties of 19 benzimidazole-2-one derivatives (potential drugs). In-silico docking studies demonstrated promising binding interactions with HSP60, and these results were supported by molecular dynamics simulations. Notably, molecules 2b and 2d exhibited high affinity for HSP60 protein, highlighting their potential efficacy. The developed ligands were viable for the treatment of hepatocellular carcinoma (HCC). The findings provide valuable initial evidence supporting the efficacy of benzimidazole-2-ones as HSP60 inhibitors and lay the foundation for subsequent studies, including in-vitro assays.

A review on multicomponent reactions catalysed by zero-dimensional/one-dimensional titanium dioxide (TiO2) nanomaterials: Promising green methodologies in organic chemistry.

Heterogeneous catalysis has currently become an emerging tool for the design and development of sustainable manufacturing processes in order to obtain advanced intermediates, fine chemicals, and bioactive molecules. This field has been considered efficient and eco-friendly, as it investigates the utilization of non-hazardous metals for atom-economical reactions. Nanomaterials have created a significant impact on scientific and engineering advancements due to their tunable properties with superior performance over their massive counterparts. Due to the increased demand for heterogeneous catalysts in industries and academia, different transition metal oxides have been made into substantial nanostructures. Among them, titanium dioxide (TiO2) nanomaterials have received more attention on account of their chemical stability, low cost, dual acid-base properties, good oxidation rate and refractive index. Different modifications of TiO2 extend their applications as active catalysts or catalyst supports in diverse catalytic processes, such as photovoltaics, lithium batteries, pigments and others. One-dimensional (1-D) TiO2 nanostructures such as nanotubes, nanowires and nanorods have achieved greater importance owing to the unique properties of improved porosity, decreased inter-crystalline contacts, large surface-to-volume ratio, superior dispersibility, amplified accessibility of hydroxyl (-OH) groups and presence of good concentrations of Brønsted/Lewis acid sites. Since the discovery, 1-D TiO2 nanostructures have served good photocatalytic applications, but were less explored in organic transformations. While many articles and reviews have covered the applications of 0-D and 1-D TiO2 nanostructured materials (NSMs) in photoelectrochemical reactions and solar cells, there are other interesting applications of these as well. In contrast to the conventional multi-step processes that utilise the stepwise formation of individual bonds, one-pot conversions based on multicomponent reactions (MCRs) have acquired much significance in contemporary organic synthesis. This paper presents a critical review on history, classification, design and synthetic utility of titania-based nanostructures, which could be used as robust solid-acid catalysts and catalyst supports for MCRs. Further, to put ideas into perspective, the introduction and applications of MCRs for various organic transformations have been discussed.