Novel inhibitor against Malassezia globosa LIP1 (SMG1), a potential anti-dandruff target.

Shaohua Guo, Wenkang Huang, Jian Zhang, Yonghua Wang

Bioorganic & medicinal chemistry letters 2015 Sep 1

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Compelling evidence have demonstrated the role of lipase activity in the pathogenicity of Malassezia globosa toward dandruff and seborrheic dermatitis (D/SD). As a representative secreted lipase from M. globosa CBS 7966, Malassezia globosa LIP1 (SMG1) is considered a potential anti-dandruff target. In this study, homology modeling, docking-based virtual screening and in vitro lipase-based assay were integrated to identify the first hit compound against SMG1, with an IC50 of 20 μM against synthetic lipase substrate, and of 0.19 μM when using natural lipase substrate. Evaluation of similar compounds, along with docking, offered information on the binding patterns of the hit compound. This work is expected to serve as a starting point for the rational design of more potent inhibitors against SMG1. Copyright © 2015 Elsevier Ltd. All rights reserved.

Citation

Shaohua Guo, Wenkang Huang, Jian Zhang, Yonghua Wang. Novel inhibitor against Malassezia globosa LIP1 (SMG1), a potential anti-dandruff target. Bioorganic & medicinal chemistry letters. 2015 Sep 1;25(17):3464-7