As shown in Fig. 4A, compounds 8c a

As shown in Fig. 4A, compounds 8c and 9c presented a set ofinteractions similar to febuxostat. As expected, the pyrimidine ringas a whole was sandwiched between Phe914 and Phe1009 via faceto-face and face-to-edge pi-stacking interactions, respectively. Inaddition, the carbonyl group of the pyrimidine formed twohydrogen bonds with Thr1010, which was similar to the 1-hydroxylgroup of the imidazole compound 5b [13], the nitrogen atom of thepyrimidine forming a hydrogen bond with Glu802 and the cyanogroup of the phenyl unit forming a hydrogen bond with Asn768 andLys771, and several hydrophobic interactions with Leu648, Phe649,Leu873, Val1011 and Leu1014 were also observed at the hydrophobic pocket. Moreover, we found that the methyl group at the 4-position of the pyrimidine ring was located on a hydrophilic surface(Fig. 4A), and the presence of a methyl group may adversely affectthe activity. This observation explained the decrease in activitiesafter adding the methyl group at the 4-position of the pyrimidinering.

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结果 (简体中文) 1: [复制]

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如图4A所示，化合物8c和9c呈现出一组 与非布索坦相似的相互作用。如所预期的那样，嘧啶环 作为一个整体被分别通过面对面和面对面pi堆积相互作用夹在Phe914和Phe1009之间。在 此外，嘧啶的羰基形成的两个 氢键与Thr1010，这是类似于1-羟基 咪唑化合物5b [13]，所述的氮原子的基团 嘧啶形成具有Glu802氢键和氰基 组与Asn768和 Lys771 形成氢键的苯基单元，以及与Leu648，Phe649， 在疏水口袋处也观察到Leu873，Val1011和Leu1014。此外，我们发现 嘧啶环的4 位上的甲基位于亲水性表面上 （图4A），并且甲基的存在可能会对 活性产生不利影响。该观察结果解释了在 嘧啶 环的4-位添加甲基后活性降低。

正在翻译中..

结果 (简体中文) 2:[复制]

复制成功！

As shown in Fig. 4A, compounds 8c and 9c presented a set of interactions similar to febuxostat. As expected, the pyrimidine ring as a whole was sandwiched between Phe914 and Phe1009 via faceto-face and face-to-edge pi-stacking interactions, respectively. In addition, the carbonyl group of the pyrimidine formed two hydrogen bonds with Thr1010, which was similar to the 1-hydroxyl group of the imidazole compound 5b [13], the nitrogen atom of the pyrimidine forming a hydrogen bond with Glu802 and the cyano group of the phenyl unit forming a hydrogen bond with Asn768 and Lys771, and several hydrophobic interactions with Leu648, Phe649, Leu873, Val1011 and Leu1014 were also observed at the hydrophobic pocket. Moreover, we found that the methyl group at the 4- position of the pyrimidine ring was located on a hydrophilic surface (Fig. 4A), and the presence of a methyl group may adversely affect the activity. This observation explained the decrease in activities after adding the methyl group at the 4-position of the pyrimidine ring.

正在翻译中..

结果 (简体中文) 3:[复制]

复制成功！

如图4A所示，化合物8c和9c呈现一组 与非布索坦类似的相互作用。如所料，嘧啶环 作为一个整体，分别通过面-面和面-边π叠加相互作用夹在Phe914和Phe1009之间。在 此外，嘧啶的羰基形成两个 与Thr1010的氢键，类似于1-羟基 咪唑化合物5b[13]的基团，其氮原子为 嘧啶与Glu802和氰基形成氢键 与Asn768和 Lys771和一些与Leu648，Phe649的疏水作用， 在憎水囊中也观察到Leu873、Val1011和Leu1014。此外，我们发现甲基在4- 嘧啶环的位置位于亲水表面 （图4A），甲基的存在可能对 活动。这一观察解释了活动减少的原因 在嘧啶的4位加入甲基后 戒指。

正在翻译中..

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