Abstract
Cutaneous leishmaniasis is a parasitic disease associated with high morbidity and mortality rates. This work reports the synthesis, biological and theoretical evaluations of a new antileishmanial series of 5-(4,5-dihydro-1H-imidazol-2-yl)-4-(arylamino)thieno[2,3-b]pyridine derivatives - 3 (H), 3a (m-CH3), 3b (m-OCH3), 3c (m-NO2), 3d (m-F), 3e (m-Br), 3f (p-CH3), 3g (p-OCH3), 3h (p-NO2), 3i (p-F), 3j (p-Br). Interestingly 3f and 3g showed a better profile against Leishmania amazonensis (EC50=29.49 and 32.23 μM, respectively) than glucantime, the current drug on the market (EC50=163.7 μM). The theoretical analysis pointed a correlation among the antileishmanial profile and the conformational and electrostatic features of these new molecules. ADMET and “Lipinski´s rule of 5” revealed higher theoretical biodisponibility, druglikeness and drugscore values for these derivatives compared to known antileishmanial drugs. Our results pointed these thieno[2,3-b]pyridine derivatives as lead compounds for designing new agents for treatment of cutaneous leishmaniasis. Key words: Cutaneous leishmaniasis, antileishmanial, thieno[2,3-b]pyridine derivatives, structure-activity relationship (SAR)
Published Version
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