Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus.

ABSTRACT: The prevalence of invasive fungal infections worldwide has increased in the last decades. The development of specific drugs targeting pathogenic fungi without producing collateral damage to mammalian cells is a daunting pharmacological challenge. Indeed, many of the toxicities and drug interactions observed with contemporary antifungal therapies can be attributed to "nonselective" interactions with enzymes or cell membrane systems found in mammalian host cells. A computer-aided screening strategy against the TRR1 protein of Paracoccidioides lutzii is presented here. Initially, a bank of commercially available compounds from Life Chemicals provider was docked to model by virtual screening simulations. The small molecules that interact with the model were ranked and, among the best hits, twe

SUBMITTER: Abadio AK 

PROVIDER: S-EPMC4646694 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature