Litcius/Paper detail

Structure-Based Discovery of Lipoteichoic Acid Synthase Inhibitors

Xavier Chee Wezen, Aneesh Chandran, Rohan Eapen, Elaine M. Waters, Laura Bricio-Moreno, T. Tosi, Stephen K. Dolan, Charlotte Millership, Aras Kadioglu, Angelika Gründling, Laura S. Itzhaki, Martin Welch, Taufiq Rahman

2022Journal of Chemical Information and Modeling34 citationsDOIOpen Access PDF

Abstract

. Our overall workflow and data should encourage further drug design campaign against LtaS. Finally, our work reinforces the importance of considering protein conformational flexibility to a successful VS endeavor.

Topics & Concepts

Lipoteichoic acidATP synthaseChemistryDrug discoveryComputational biologyBiochemistryEnzymeBiologyBacteriaStaphylococcus aureusGeneticsMicrobial Natural Products and BiosynthesisMarine Sponges and Natural ProductsPlant biochemistry and biosynthesis