3D chemical structure representation of levofloxacin hemihydrate. Credit: Scientia Pharmaceutica (2023 ). DOI: 10.3390/ scipharm92010001
The anti-bacterial drug levofloxacin is utilized to deal with pneumonia, sinus problems, genitourinary infections, and other illness. It is consisted of in the WHO Model List of Essential Medicines. In regards to its chemical structure, it is a third-generation fluoroquinolone– an entirely artificial compound of the quinolone type.
Generation describes various adjustments of quinolones that are utilized in various locations. Quinolones of various generations are commonly utilized, however germs– for instance, pneumococcus and Staphylococcus aureus– establish resistance to them. RUDN University pharmacists studied a number of derivatives of levofloxacin to discover prospective prospects for brand-new anti-bacterial drugs and discover which structural aspects are accountable for the biological activity of the compounds.
“One of the techniques to enhance the kinetic and vibrant attributes of drugs is to study the homes of the items that are formed as an outcome of their change,” Elena Uspenskaya, Doctor of Pharmaceutical Sciences, Professor, Associate Professor of the Department of Pharmaceutical and Toxicological Chemistry of the RUDN University stated.
For the experiment, researchers utilized the pharmaceutical compound levofloxacin. To anticipate what biological activity its derivatives will have, the authors simulated them, along with molecular docking “postures” on a computer system (in silico). An overall of 5 derivatives and levofloxacin itself were studied. Biological activity was examined utilizing 7 various kinds of activity: anti-bacterial and antitumor impacts, inhibition of particular enzymes, and so on.
Modeling made it possible to identify which structural aspects of levofloxacin are accountable for its action. Therefore, without a carboxyl group in the structure, the antimicrobial activity of the compound is decreased by half. Non-standard actions appear– for instance, suppression of the cytochrome P450 enzyme. For a few of the most appealing adjustments, the authors acquired 3D makings. Based upon these outcomes, it will be possible to look for brand-new drugs based upon levofloxacin.
“The in silico outcomes enabled us to find quantitative structure-activity connections and anticipate the molecular systems of activity. This is of used interest for targeted drug search,” Elena Uspenskaya, Doctor of Pharmaceutical Sciences, Professor, Associate Professor of the Department of Pharmaceutical and Toxicological Chemistry of the RUDN University stated.
The research study is released in the journal Scientia Pharmaceutica
More details: Elena V. Uspenskaya et al, In Silico Activity Prediction and Docking Studies of the Binding Mechanisms of Levofloxacin Structure Derivatives to Active Receptor Sites of Bacterial Type IIA Topoisomerases, Scientia Pharmaceutica (2023 ). DOI: 10.3390/ scipharm92010001
Supplied by Scientific Project Lomonosov
Citation: Pharmacists propose methods to increase the activity of levofloxacin and conquer bacterial resistance (2024, February 21) obtained 28 February 2024 from https://phys.org/news/2024-02-pharmacists-ways-levofloxacin-bacterial-resistance.html
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