Molecular docking analysis of long-chain alkanes with the β-lactamase BEL-1 from P. aeruginosa.

ABSTRACT: Pseudomonas aeruginosa is a gram-negative opportunistic bacterium that is a concern worldwide due to its innate antibiotic resistance properties. This warrants the development of non-antibiotic compounds that can potentially address the growing concern. Therefore, it is of interest to document the molecular docking analysis data of three long-chain alkanes, namely, eicosane, triacontane, and nonadecane with β-lactamase BEL-1. Data shows that nonadecane have good binding features and drug-likeness when compared to triacontane and nonadecane. It is well known that nonadecane is a compound that is abundantly available from natural resources for further consideration.

SUBMITTER: Gayathri VR 

PROVIDER: S-EPMC10024776 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature