AI Article Synopsis
- - Researchers developed safe and effective therapies for paracoccidioidomycosis by using computational methods to discover anti-fungal compounds from a large library.
- - They performed a virtual screening of the ChemBridge database, narrowing it down to nine promising compounds for lab testing.
- - Out of the nine, seven compounds showed effectiveness against the target fungus, with predicted mechanisms of action, indicating their potential for developing new treatment options.
Article Abstract
The development of safe and effective therapies for treating paracoccidioidomycosis using computational strategies were employed to discover anti- compounds. We 1) collected, curated and integrated the largest library of compounds tested against spp.; 2) employed a similarity search to virtually screen the ChemBridge database and select nine compounds for experimental evaluation; 3) performed an experimental evaluation to determine the minimum inhibitory concentration and minimum fungicidal concentration as well as cytotoxicity; and 4) employed computational tools to identify potential targets for the most active compounds. Seven compounds presented activity against spp. These compounds are new hits with a predicted mechanisms of action, making them potentially attractive to develop new compounds.
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| http://dx.doi.org/10.4155/fmc-2022-0288 | DOI Listing |
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