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Artemisinin-dipeptidyl Vinyl Sulfone Hybrid Inhibitors of Plasmodium Falciparum Falcipain 2 with Favorable Pharmacokinetic Profile

Article scientifique 2019 Anglais

Résumé

In this work, we virtually design Artemisinin-Vinyl Sulfone Hybrid (AVSH) inhibitors of Falcipain2 (FP2) through Structure-Based Drug Design (SBDD) approach. From a series of 6 AVSH with known FP2 inhibitory activity, FP2-AVSHx complexes were built by in situ modification of the X-rays crystal structure of FP2 complexed with epoxysuccinate E64 (3BPF.pdb).

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N’guessan, A., Megnassan, E., Ziao, N., Frecer, V., N’Guessan, Y., Miertuš, S. (2019). Artemisinin-dipeptidyl Vinyl Sulfone Hybrid Inhibitors of Plasmodium Falciparum Falcipain 2 with Favorable Pharmacokinetic Profile. https://doi.org/10.36959/426/604

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Auteur(s)

Aubin N’guessan Eugène Megnassan Nahossé Ziao Vladimı́r Frecer Yao N’Guessan Stanislav Miertuš

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