Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X‐ray studies,Chemical Biology & Drug Design

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Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X‐ray studies
Chemical Biology & Drug Design ( IF 3.2 ) Pub Date : 2018-10-08 , DOI: 10.1111/cbdd.13351
Keshab M. Bairagi ₁ , Katharigatta N. Venugopala ₂ , Pradip Kumar Mondal ₃ , Raquel M. Gleiser _{4,

5} , Deepak Chopra ₃ , Daniel García ₆ , Bharti Odhav ₂ , Susanta K. Nayak ₁

Affiliation

A series of methyl or ethyl 4‐(substitutedphenyl/pyridyl)‐6‐methyl‐2‐oxo/thioxo‐1,2,3,4‐tetrahydropyrimidine‐5‐carboxylate (HPM) analogues 4a–g were synthesized and evaluated for larvicidal activity against Anopheles arabiensis. These newly synthesized compounds were characterized by spectral studies such as FT‐IR, NMR (¹H and ¹³C), LC‐MS, and elemental analysis. The conformational features and supramolecular assembly of molecules 4a, 4b, and 4e were further analyzed from single crystal X‐ray study. The larvicidal activity of these tetrahydropyrimidine pharmacophore series was analyzed based on their relative substituents. Among the synthesized HPM analogous from the series, compounds 4d and 4e both having electron withdrawing chlorine group on phenyl ring at the fourth position of the tetrahydropyrimidine pharmacophore exhibited the most promising larvicidal activity.

中文翻译：

四氢嘧啶支架对阿拉伯按蚊的幼虫研究和单晶X射线研究的结构洞察力

合成了一系列甲基或乙基4-（取代的苯基/吡啶基）-6-甲基-2-氧代/硫代氧代辛基1,2,3,4-四氢嘧啶-5-羧酸盐（HPM）类似物4a-g并评估其杀幼虫剂对阿拉伯按蚊的活性。这些新合成的化合物的特征在于光谱研究，例如FT-IR，NMR（¹ H和¹³ C），LC-MS和元素分析。分子4a，4b和4e的构象特征和超分子组装从单晶X射线研究中进一步分析。基于它们的相对取代基，分析了这些四氢嘧啶药效团的杀幼虫活性。在该系列的类似物的合成的HPM中，在四氢嘧啶药效团的第四位的苯环上都具有吸电子氯基的化合物4d和4e表现出最有希望的杀幼虫活性。

更新日期：2018-10-08

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