Computational analysis of the interactions of a novel cephalosporin derivative with β-lactamases.

ABSTRACT:

Background

One of the main concerns of the modern medicine is the frightening spread of antimicrobial resistance caused mainly by the misuse of antibiotics. The researchers worldwide are actively involved in the search for new classes of antibiotics, and for the modification of known molecules in order to face this threatening problem. We have applied a computational approach to predict the interactions between a new cephalosporin derivative containing an additional β-lactam ring with different substituents, and several serine β-lactamases representative of the different classes of this family of enzymes.

Results

The results of the simulations, performed by using a covalent docking approach, has shown that this compound, although able to bind the selected β-lactamases, has a

SUBMITTER: Verdino A 

PROVIDER: S-EPMC6389238 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature