Drug to genome to drug: a computational large-scale chemogenomics screening for novel drug candidates against sporotrichosis.

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) selecti

SUBMITTER: Santos AS 

PROVIDER: S-EPMC11405749 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature