Designing the structure of new antibacterial drugs based on cephalothin

The article presents a computer-generated modification of cephalothin sodium salt molecules with penicillin. This modification is a new structure with potential antibacterial activity. A correlation was found between pharmacological activity, pharmacokinetic parameters, and toxicological properties and the structure of the compound. The research uses the computer technologies allowing the pharmacological properties of new compounds to be modelled. The authors have proposed new structural modifications of the original molecules with improved beta-lactamase activity indicators.