Nadifloxacin

Personal care products (PCPs) are often adulterated with antimicrobial agents, such as quinolones, which pose risks to consumer safety and challenge regulatory oversight. Current detection methods rely on standard reference substances and are limited in identifying novel quinolone isomers and structural derivatives. In this study, we present the first use of MixONat, an advanced dereplication tool, combined with ¹³C NMR spectroscopy to detect illegal quinolone additives in PCPs. Key advancements include the establishment of an in-house quinolone database, innovative sample pretreatment methods, and the integration of these elements to improve the detection of new illegal additives in PCPs. Standard addition experiments in both blank matrices and commercial cosmetics successfully identified new quinolones not included in the database, with effective differentiation of stereoisomers such as ofloxacin and levofloxacin. The proposed approach significantly improves detection efficiency and accuracy, bolstering PCP safety regulations and contributing to public health protection.

The most common cause of respiratory tract illness in newborns and young children is the respiratory syncytial virus (RSV). There is no approved vaccination or specific antiviral medication for RSV infections. Here, an attempt has been made to explore the potential of currently marketed drugs as well as their probable derivatives to improve the possibility of developing stronger medications against RSV. From the 100 synthetic drug compounds library, the best drug molecule was identified through drug-likeness properties, toxicity, molecular docking and molecular dynamics simulations. Molecular Mechanics Generalized Born Surface Area (MM-GBSA) was also a method that was applied in this study. Daclatasvir showed the highest binding energy and appeared as the best drug to inhibit matrix protein and a fusion protein of RSV. Based on Daclatasvir, 40 computational derivatives were made. D28, D34 and D40 showed far better results than the actual drug. Changes in lipophilicity character increase the binding energy of derivatives. Molecular dynamic simulations showed their non-deviated, non-fluctuated and stable complex formation with target proteins. The high number of amino acid contacts throughout the trajectory increases the stability and effectiveness of derivatives. The key to producing a novel medicine to eradicate RSV is provided by derivatives. Daclatasvir will be employed as a potential RSV inhibitor up until that point.