Anna K. H. Hirsch

Design, Synthesis, and Preliminary Investigation on the Mode of Action for a Series of Novel Antimicrobial Peptidomimetics

Abstract Over the years, many antibiotics have been developed, but most have become less effective due to antimicrobial resistance, especially those targeting enzymatic pathways. This growing resistance poses a serious global health threat. It is now recognized that physically di...

DockM8: an all-in-one open-source platform for consensus virtual screening in drug design

Virtual screening remains a critical step in structure-based drug design, yet variability in docking algorithms and scoring functions often limits its reliability. To address this challenge, we introduce DockM8, an open-source platform for consensus virtual screening that integra...

Data driven selection of consensus docking pipelines for structure based hit identification

Abstract Structure-based virtual screening (SBVS) is a cornerstone of computer-aided drug design, yet its success depends on selecting a combination of docking tools, scoring function (SF), and ranking strategies. MolDockLab addresses this challenge with an automated, data-driven...

Tracheal tuft cell-released leukotrienes promote antibacterial immune responses

SUMMARY Tuft cells act as crucial sentinels in the airways that detect bacterial metabolites. In response, tuft cells release signaling molecules that trigger immune responses essential for clearing the infection. The molecular mechanisms driving immune cell activation following...