Anti-Infective Agents - Online First

Sesquiterpene coumarins are a unique class of natural compounds with a wide range of biological activities. These C15 terpenes are connected by ether or carbon-carbon bonds to coumarin derivatives. Sesquiterpene coumarins that include a 7-hydroxylcoumarin (umbelliferone) moiety have significant antiviral properties. The natural flexibility of these compounds reduces the likelihood of developing resistance, which is often seen in viruses due to high mutation rates.

The lessons learned from the coronavirus pandemic experience emphasize the importance of preparedness for future viral outbreaks in the medical community. Consequently, fast and reliable assessment methods, such as in silico techniques, are crucial in drug discovery.

In this study, we used in silico studies to evaluate the potential antiviral effects of various sesquiterpene coumarins.

The binding free energy to the spike protein of SARS-CoV-2 suggested that 5′-hydroxyumbelliprenin (2), conferol (9), 8′-acetoxy-5′-hydroxyumbelliprenin (3), and Sanandajine (1) could be promising antiviral candidates.

These compounds have unique physicochemical characteristics and occupy distinct chemical spaces compared to synthetic libraries; therefore, the criteria for drug-likeness need to be adjusted for this series of compounds.

Heterocyclic compounds play an essential role in biological systems and occur widely in nature. They are fundamental in the development of pharmaceuticals aimed at combating microbial infections and other” with “with the potential biological activities. Pharmacological evaluations have demonstrated their efficacy against diverse bacterial strains. This study investigates the antimicrobial properties of various benzimidazole hybrids. The findings highlight the significant influence of substituting nitrogenous scaffolds with various heteroatoms on the potential development of new antimicrobial agents.

This review article is expected to make a substantial contribution to the advancement of antibacterial medications. The research's goal is to improve the efficacy of combating bacterial infections by utilizing the potent properties of benzimidazole-based hybrid scaffolds. In the end, this will aid in reducing the global incidence of this contagious illness.

Several nitrogen-containing heterocyclic compounds display substantial potential as antibacterial agents. These compounds possess fused benzene and imidazole nuclei. These nuclei could change the number of electrons they have, which in turn affects their physiochemical characteristics. The versatility of drugs arises from their capacity to interact with receptors in various modalities, which is a key factor in drug pharmacological screening. Benzimidazole-based hybrids have demonstrated a wide range of pharma cological effects, including antibacterial, anti-HIV, anticancer, antimalarial, antiviral, an tifungal, antioxidant, anti-inflammatory, and anti-tubercular activities.

Pyrazole, imidazole, oxazole, thiazole, indole, and benzimidazole are examples of compounds that include nitrogen species. These nitrogen-containing compounds engage in metabolic interactions with other molecules within the cell. Nevertheless, an overabundance of reactive nitrogen species can cause cytotoxicity, causing harm to vital biological macromolecules. But benzimidazole is traditionally the most effective, with a wide range of important qualities, including antibacterial, anti-HIV, anticancer, antimalarial, antiviral, antifungal, antioxidant, anti-inflammatory, and anti-tubercular activities.

This study focuses on the efficacy of novel benzimidazole-based hybrid scaffolds in inhibiting microbial growth. The study primarily focuses on recent studies carried out from 2009 to 2024. The study highlights the effectiveness of different benzimidazole-based hybrids using minimum inhibitory concentration (MIC) values. More in-depth studies also show that adding electron-withdrawing groups (EWGs) to the nitrogenous framework might make them more effective. Further research is necessary to design strong, least-toxic benzimidazole-based hybrids that can either kill or inhibit multidrug-resistant (MDR) bacteria.