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The importance of bioactivation in computer-guided drug repositioning: Why the parent drug is not always enough
(Bentham Science Publishers, 2016-08)
Although bioactivation is a well-documented process and the role of active metabolites in the drug discovery field has long been recognized, drug metabolites are usually ignored in virtual screening campaigns oriented to ...
High-throughput Drug Repositioning for the Discovery of New Treatments for Chagas Disease
(Bentham Science Publishers, 2015-03)
Despite affecting around 8 million people worldwide and representing an economic burden above $7 billion/ year, currently approved medications to treat Chagas disease are still limited to two drugs, nifurtimox and benznidazole, ...
The importance of drug repurposing in the field of antiepileptic drug development
(Springer, 2016)
Drug repurposing involves finding new therapeutic uses for existing drugs, including marketed, discontinued, shelved, and investigational drugs. The advantages of this strategy are many: reduced drug development timeline, ...
Computer-guided drug repurposing: Identification of trypanocidal activity of clofazimine, benidipine and saquinavir
(Elsevier France-editions Scientifiques Medicales Elsevier, 2015-03)
In spite of remarkable advances in the knowledge on Trypanosoma cruzi biology, no medications to treat Chagas disease have been approved in the last 40 years and almost 8 million people remain infected. Since the public ...
In silico Guided Drug Repurposing: Discovery of New Competitive and Non-competitive Inhibitors of Falcipain-2
(Frontiers Media S.A., 2019-08-06)
Malaria is among the leading causes of death worldwide. The emergence of Plasmodium falciparum resistant strains with reduced sensitivity to the first line combination therapy and suboptimal responses to insecticides used ...
In silico-guided drug repurposing: identification of non-competitive inhibitors of Trypanosoma cruzi and Plasmodium falciparum cysteine proteases
(Fundación Revista Medicina, 2020)
Abstract/Resumen: Trypanosoma cruzi and Plasmodium falciparum are the etiologic agents of Chagas disease and Malaria, respectively. Cysteine proteases play key roles in the pathogenesis and survival of these parasites, ...
The A-Z of Zika drug discovery
(Elsevier, 2018)