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2-Aminothiophene Derivatives—New Drug Candidates Against Leishmaniasis: Drug Design, Synthesis, Pharmacomodulation, and Antileishmanial Activity

Authors: Rodrigo Santos Aquino de Araújo,Vitória Gaspar Bernardo,Robert da Silva Tibúrcio,Danilo Cesar Galindo Bedor,Michel Leandro de Campos,Roberto Pontarolo,Julyanne Maria Saraiva de Sousa,Klinger Antonio da Franca Rodrigues,Marcus Tullius Scotti,Anuraj Nayarisseri,Pascal Marchand,Francisco Jaime Bezerra Mendonça-Junior
Publisher: MDPI AG
Publish date: 2025-1-17
ISSN: 1424-8247 DOI: 10.3390/ph18010125
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The study emphasizes the importance of cycloalkyl ring size and position for activity but does not address potential steric hindrance effects in detail. Could the authors clarify whether computational modeling or docking studies were used to assess how steric factors at C-4 and C-5 influence interactions with Leishmania biological targets? Additionally, while cytotoxicity was evaluated, can the authors elaborate on the rationale behind specific concentration thresholds used for selectivity index calculations?

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