Protein target similarity is positive predictor of in vitro antipathogenic activity: a drug repurposing strategy for Plasmodium falciparum

Autor:	Reagan M. Mogire, Silviane A. Miruka, Dennis W. Juma, Case W. McNamara, Ben Andagalu, Jeremy N. Burrows, Elodie Chenu, James Duffy, Bernhards R. Ogutu, Hoseah M. Akala
Jazyk:	angličtina
Rok vydání:	2024
Předmět:	Drug repurposing Drug discovery Drug development Computer aided drug discovery ReFRAME Antimalarial Information technology T58.5-58.64 Chemistry QD1-999
Zdroj:	Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-13 (2024)
Druh dokumentu:	article
ISSN:	1758-2946
DOI:	10.1186/s13321-024-00856-7
Popis:	Abstract Drug discovery is an intricate and costly process. Repurposing existing drugs and active compounds offers a viable pathway to develop new therapies for various diseases. By leveraging publicly available biomedical information, it is possible to predict compounds’ activity and identify their potential targets across diverse organisms. In this study, we aimed to assess the antiplasmodial activity of compounds from the Repurposing, Focused Rescue, and Accelerated Medchem (ReFRAME) library using in vitro and bioinformatics approaches. We assessed the in vitro antiplasmodial activity of the compounds using blood-stage and liver-stage drug susceptibility assays. We used protein sequences of known targets of the ReFRAME compounds with high antiplasmodial activity (EC50
Databáze:	Directory of Open Access Journals
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