سنتز تک مرحله ای هیبریدهای پلی هیدروکینولین-3،2،1-تریازول در حلال دیپ یوتستیک به عنوان عوامل ضد لیشمانیا و مطالعات مدلهای مولکولی

عنوان انگليسی

One-pot synthesis of polyhydroquinoline-1,2,3-triazole hybrids in deep eutectic solvent as anti-leishmanial agents and molecular modeling studies

خلاصه انگلیسی

The novel hybrids with 1,2,3-triazole and polyhydroquinoline scaffolds were successfully synthesized by multicomponent reaction of propargyloxybenzaldehyde, 1,3-cyclohexadione, ethylacetoacetate and ammonium acetate followed through click reaction in the presence of deep eutectic solvent ChCl/ZnCl2 as an efficient catalyst. Their anti-leishmanial activity was evaluated against amastigote and promastigote forms of L. tropica, L. major, and two different species of L. infantum. Furthermore, to determine the cytotoxicity of the hybrids, they were evaluated against the murine macrophage cell line J(774.A1). Based on the results, three hybrids showed the highest antileishmanial activity. However, they revealed low cytotoxicity. Hybrid 6j was the most potent compound against both the forms of all leishmanial types, with IC50 = 13.5 and 11.9 mu g/mL for L. major, 37.5 and 25 mu g/mL for L. tropica, 17.5 and 20 mu g/mL for L. infantum (MCAN/IR//96/LON49) and 35.5 and 30 mu g/mL for L. infantum (MCAN/ES/98/LIM-877), respectively. Finally, molecular docking and molecular dynamics simulations were also performed to identify possible mechanism antileishmanial activity.Communicated by Ramaswamy H. Sarma

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