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Covalent fragment-based drug discovery as a strategy to combat leishmaniasis

Year: 2026

Type: article

Abstract: Covalent inhibition has emerged as a powerful strategy in drug discovery, offering a unique combination of potency, selectivity, and sustained target engagement.Building on our previous findings-where we identified barbituric acid derivatives as orotate bioisosteres that, upon introduction of an exocyclic double bond, acted as covalent inhibitors of Leishmania braziliensis dihydroorotate dehydrogenase (LbDHODH)-we now report a new series of conjugated dienebarbituric acid compounds derived from the most potent previously identified inhibitor, 2i, a nanomolar compound with antiparasitic activity.

Source: Acta Crystallographica Section A Foundations and Advances

DOI: 10.1107/s2053273325099553

Author: Maria Cristina Nonato

Institution: Universidade de São Paulo

Language: English

Topic: Research on Leishmaniasis Studies

Subfield: Public Health, Environmental and Occupational Health

Field: Medicine

Domain: Health Sciences

SDG: Good health and well-being

Open Access status: bronze

OpenAlex ID: W7143513743

FWCI:

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Related to: 10