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High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development

Structure. 2022-09; 
Shalev Gihaz, Peter Gareiss, Jae-Yeon Choi, Isaline Renard, Anasuya Chattopadhyay Pal, Yulia Surovsteva, Joy E Chiu, Jose Thekkiniath, Mark Plummer, William Hungerford, Micaela L Montgomery, Alanah Hosford, Emily M Adams, Jorge D Lightfoot, David Fox, Kayode K Ojo, Bart L Staker, Kevin Fuller, Choukri Ben Mamoun
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摘要

Fungal infections are the leading cause of mortality by eukaryotic pathogens, with an estimated 150 million severe life-threatening cases and 1.7 million deaths reported annually. The rapid emergence of multidrug-resistant fungal isolates highlights the urgent need for new drugs with new mechanisms of action. In fungi, pantothenate phosphorylation, catalyzed by PanK enzyme, is the first step in the utilization of pantothenic acid and coenzyme A biosynthesis. In all fungi sequenced so far, this enzyme is encoded by a single PanK gene. Here, we report the crystal structure of a fungal PanK alone as well as with high-affinity inhibitors from a single chemotype identified through a high-throughput chemical screen. ... More

关键词

Aspergillus fumigatus, Saccharomyces cerevisiae, antifungals, drug susceptibility, pantothenate kinase, vitamin B5