Alkylation of sodium diethyldithiocarbamate with allyl-2-chloroacetate, allyl-3-chloropropionate, chloromethyl-2-(tetrahydrofuran-2-yl)acetate, and 4-(chloromethyl)-1,3-dioxolane in the aqueous medium synthesized functionally substituted esters of N, N-dietyleditiocarbamic acid (M1-M4). Most active compounds were docked into the catalytic active site of the enzyme. We identified that acetate moiety for inhibition of hCA I, hCA II, and α-glycosidase and dioxolane and thiocarbamic acid moieties for inhibition of AChE and BChE enzymes are very important. The hCA I isoform was inhibited by these novel functionally substituted esters based on sodium diethyldithiocarbamate derivatives (M1-M4) in low micromolar levels, the Ki of which differed between 48.03 ± 9.77 and 188.42 ± 46.08 µM. Against the physiologically dominant isoform hCA II, the novel compounds demonstrated Kis varying from 57.33 ± 6.21 to 174.34 ± 40.72 µM. Also, these novel derivatives (M1-M4) effectively inhibited AChE, with Ki values in the range of 115.42 ± 12.44 to 243.22 ± 43.65 µM. For BChE Ki values were found in the range of 94.33 ± 9.14 to 189.45 ± 35.88 µM. For α-glycosidase the most effective Ki values of M4 and M3 were with Ki values of 32.86 ± 7.88 and 37.63 ± 4.08 µM, respectively.

中文翻译：

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基于二乙基二硫代氨基甲酸钠衍生物的新型功能取代的酯：合成，表征，生物活性和分子对接研究。

二乙基二硫代氨基甲酸钠与2-氯乙酸烯丙酯，-3-氯丙酸烯丙酯，氯甲基-2-（四氢呋喃-2-基）乙酸酯和4-（氯甲基）-1,3-二氧戊环的烷基化反应合成了功能取代的酯N，N-二十六烷基二氨基甲酸（M1-M4）。大多数活性化合物都停靠在酶的催化活性位点。我们发现，抑制hCA I，hCA II和α-糖苷酶的乙酸酯部分以及抑制AChE和BChE酶的二氧戊环和硫代氨基甲酸部分非常重要。这些基于二乙基二硫代氨基甲酸钠衍生物（M1-M4）的新型功能性取代的酯以低微摩尔水平抑制了hCA I亚型，其Ki值介于48.03±9.77和188.42±46.08 µM之间。针对生理优势同工型hCA II，新化合物的Kis在57.33±6.21至174.34±40.72 µM之间。此外，这些新型衍生物（M1-M4）有效抑制AChE，Ki值在115.42±12.44至243.22±43.65 µM之间。对于BChE，Ki值在94.33±9.14至189.45±35.88 µM之间。对于α-糖苷酶，M4和M3的最有效Ki值分别为32.86±7.88和37.63±4.08 µM。