期刊
JOURNAL OF FUNGI
卷 7, 期 2, 页码 -出版社
MDPI
DOI: 10.3390/jof7020067
关键词
antifungal drug discovery; CYP51; sterol 14α -demethylase; azole drugs; azole agrochemicals; structure-directed drug design; in silico screens; pharmacophore; molecular docking
资金
- Health Research Council of New Zealand [13/263, 16/232, 19/397]
- Royal Society of New Zealand Marsden Fund [10-UOO-098]
- Royal Society of New Zealand Catalyst Fund Seeding grant [18-UOO-007-CSG]
Antifungal drugs and agrochemicals are limited by unintended consequences and resistance, highlighting the need for improvement and discovery of novel antifungals. Structural insights into drug targets offer opportunities for more effective antifungal discovery.
Antifungal drugs and antifungal agrochemicals have significant limitations. These include several unintended consequences of their use including the growing importance of intrinsic and acquired resistance. These problems underpin an increasingly urgent need to improve the existing classes of antifungals and to discover novel antifungals. Structural insights into drug targets and their complexes with both substrates and inhibitory ligands increase opportunity for the discovery of more effective antifungals. Implementation of this promise, which requires multiple skill sets, is beginning to yield candidates from discovery programs that could more quickly find their place in the clinic. This review will describe how structural biology is providing information for the improvement and discovery of inhibitors targeting the essential fungal enzyme sterol 14 alpha-demethylase.
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