Abstract:
:Previously, we identified CYP53 as a fungal-specific target of natural phenolic antifungal compounds and discovered several inhibitors with antifungal properties. In this study, we performed similarity-based virtual screening and synthesis to obtain benzoic acid-derived compounds and assessed their antifungal activity against Cochliobolus lunatus, Aspergillus niger and Pleurotus ostreatus. In addition, we generated structural models of CYP53 enzyme and used them in docking trials with 40 selected compounds. Finally, we explored CYP53-ligand interactions and identified structural elements conferring increased antifungal activity to facilitate the development of potential new antifungal agents that specifically target CYP53 enzymes of animal and plant pathogenic fungi.
journal_name
Bioorg Med Chemjournal_title
Bioorganic & medicinal chemistryauthors
Berne S,Kovačič L,Sova M,Kraševec N,Gobec S,Križaj I,Komel Rdoi
10.1016/j.bmc.2015.06.042subject
Has Abstractpub_date
2015-08-01 00:00:00pages
4264-4276issue
15eissn
0968-0896issn
1464-3391pii
S0968-0896(15)00536-2journal_volume
23pub_type
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