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Chemical Structure| 2398-96-1 Chemical Structure| 2398-96-1
Chemical Structure| 2398-96-1

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CAS No.: 2398-96-1

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Tolnaftate is a synthetic thiocarbamate-derived antifungal.

Synonyms: NP-27; NSC 233648; Tolnaftate, Tinactin, Tinaderm, Aftate, NP-27, NP 27, NP27

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Product Citations

Andressa Santana?Santos ; Vinícius Alexandre Fiaia?Costa ; Vivianny Aparecida Queiroz?Freitas ; Laura Raniere Borges?dos?Anjos ; Eder Soares?de?Almeida Santos ; Thales Domingos?Arantes , et al.

Abstract: Sporotrichosis is recognized as the predominant subcutaneous mycosis in South America, attributed to pathogenic species within the Sporothrix genus. Notably, in Brazil, Sporothrix brasiliensis emerges as the principal species, exhibiting significant sapronotic, zoonotic and enzootic epidemic potential. Consequently, the discovery of novel therapeutic agents for the treatment of sporotrichosis is imperative. The present study is dedicated to the repositioning of pharmaceuticals for sporotrichosis therapy. To achieve this goal, we designed a pipeline with the following steps: (a) compilation and preparation of Sporothrix genome data; (b) identification of orthologous proteins among the species; (c) identification of homologous proteins in publicly available drug-target databases; (d) selection of Sporothrix essential targets using validated genes from Saccharomyces cerevisiae; (e) molecular modeling studies; and (f) experimental validation of selected candidates. Based on this approach, we were able to prioritize eight drugs for in vitro experimental validation. Among the evaluated compounds, everolimus and bifonazole demonstrated minimum inhibitory concentration (MIC) values of 0.5 μg/mL and 4.0 μg/mL, respectively. Subsequently, molecular docking studies suggest that bifonazole and everolimus may target specific proteins within S. brasiliensis– namely, sterol 14-α-demethylase and serine/threonine-protein kinase TOR, respectively. These findings shed light on the potential binding affinities and binding modes of bifonazole and everolimus with their probable targets, providing a preliminary understanding of the antifungal mechanism of action of these compounds. In conclusion, our research advances the understanding of the therapeutic potential of bifonazole and everolimus, supporting their further investigation as antifungal agents for sporotrichosis in prospective hit-to-lead and preclinical investigations.

Keywords: Sporotrichosis ; Sporothrix brasiliensis ; Drug repurposing ; Structural bioinformatics ; Everolimus

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Product Details of Tolnaftate

CAS No. :2398-96-1
Formula : C19H17NOS
M.W : 307.41
SMILES Code : S=C(OC1=CC=C2C=CC=CC2=C1)N(C)C3=CC=CC(C)=C3
Synonyms :
NP-27; NSC 233648; Tolnaftate, Tinactin, Tinaderm, Aftate, NP-27, NP 27, NP27
MDL No. :MFCD00056611
InChI Key :FUSNMLFNXJSCDI-UHFFFAOYSA-N
Pubchem ID :5510

Safety of Tolnaftate

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P264-P270-P301+P312-P330
 

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