VCOMBAT: a novel tool to create and visualize a computational model of bacterial antibiotic target-binding.

ABSTRACT:

Background

As antibiotic resistance creates a significant global health threat, we need not only to accelerate the development of novel antibiotics but also to develop better treatment strategies using existing drugs to improve their efficacy and prevent the selection of further resistance. We require new tools to rationally design dosing regimens from data collected in early phases of antibiotic and dosing development. Mathematical models such as mechanistic pharmacodynamic drug-target binding explain mechanistic details of how the given drug concentration affects its targeted bacteria. However, there are no available tools in the literature that allow non-quantitative scientists to develop computational models to simulate antibiotic-target binding and its effects on bacteria.

SUBMITTER: Tran VN 

PROVIDER: S-EPMC8734216 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature