Synthesis, Fungicidal Activity and Molecular Docking Study of Novel N-[2-((Substitutedphenyl)amino)pyridin-3-yl]-pyrimidine-4-carboxamides

Abstract

作用. 关键词 嘧啶; 酰胺; 合成; 杀菌活性; 分子对接 Synthesis, Fungicidal Activity and Molecular Docking Study of Novel N-[2-((Substitutedphenyl)amino)pyridin-3-yl]pyrimidine-4-carboxamides

Discovery of Novel Compounds for Combating Rising Severity of Plant Diseases Caused by Fungi and Viruses

“…The enzyme SDH, which plays a crucial role in connecting the respiratory electron transport chain and tricarboxylic acid cycle, has been identified as an optimal target for the development of potent fungicides. − The three-dimensional structure of compound 6s was generated using ChemDraw Ultra 20.0 software (PerkinElmer, Waltham, MA, USA), while the protein SDH receptor structure (PDB: 2FBW) was obtained from the RCBs PDB database (). A molecular docking study was conducted to investigate the binding mode of compound 6s with SDH using Discovery Studio 2.5 software (Accelrys Inc., San Diego, USA) following a previously reported method. , …”

“…Particularly in recent years, a large number of literature reports have documented the antifungal and antiviral activities of pyrimidine and its derivatives, garnering significant attention from researchers . Meanwhile, pyrimidine derivatives have shown promise as a potential starting point for the discovery of novel inhibitors targeting succinate dehydrogenase (SDH). − …”

Synthesis and fungicidal activity of novel benzimidazole derivatives bearing pyrimidine‐thioether moiety against Botrytis cinerea

“…16 However, the thioether moiety in drug molecules might decrease the lipophilicity and increase the opportunity for hydrogen bond between drug and target enzyme, which is beneficial to enhance the affinity and improve the bioactivity. 20,21 With the encouragement of these results, and in an attempt to extend our previous study on the synthesis and antifungal activity of benzimidazole and pyrimidine derivatives, [22][23][24][25] we herein chose carbendazim as the lead compound, and replaced its carbamate group with phenylpyrimidine moiety and introduced a thioacetamide motif to the pyrimidine ring at the same time. Thus, a series of benzimidazole derivatives bearing pyrimidine and thioether moieties were designed and synthesized (Fig.…”

Design, synthesis, antifungal activity, and molecular docking of novel trifluoromethyl pyrimidine derivatives containing 1,3,4‐oxadiazole and thioether moieties as potential succinate dehydrogenase inhibitors

“…In our previous work, several series of novel trifluoromethyl pyrimidine (Figure 1) were reported and possessed strong antifungal and antiviral activity [8][9][10][11][12]. Meanwhile, pyrimidine derivatives have been demonstrated in some studies to be a promising starting point for the discovery of novel potential inhibitors of succinate dehydrogenase (SDH) [13][14][15].…”