《Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives》 was written by Yagiz, Guler; Noma, Samir Abbas Ali; Altundas, Aliye; Al-khafaji, Khattab; Taskin-Tok, Tugba; Ates, Burhan. Recommanded Product: 1-(Bromomethyl)-4-chlorobenzeneThis research focused ontriazole preparation green chem mol docking xanthine oxidase inhibitor; Double docking; Enzyme inhibition; Green synthesis; Triazole derivatives; Xanthine oxidase. The article conveys some information:
This study was focused on synthesis of various di-Me N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives I (R = methoxycarbonyl, hydroxymethyl; X = 2-OH, 3-Br, 4-OMe, 2-OH-5-Cl, etc.) under the conditions of green chem. without the use of solvent and catalysts. Their inhibition properties were also investigated on xanthine oxidase (XO) activity. All dimethanol and dicarboxylate derivatives I exhibited significant inhibition activities with IC50 values ranging from 0.71 to 2.25μM. Especially, I [R = hydroxymethyl, X = 3-Br; and R = methoxycarbonyl, X = 4-Cl] compounds were found to be the most promising derivatives on the XO enzyme inhibition with IC50 values 0.71 and 0.73μM, resp. Moreover, the double docking procedure was used to evaluate compound modes of inhibition and their interactions with the protein (XO) at at. level. Surprisingly, the docking results showed a good correlation with IC50 [correlation coefficient (R2 = 0.7455)]. Also, the docking results exhibited that the I [R = hydroxymethyl, X = 3-Br; R = methoxycarbonyl, X = 4-OH; and R = methoxycarbonyl, X = 4-Cl] have lowest docking scores -4.790, -4.755, and -4.730, resp. These data were in agreement with the IC50 values. These results give promising beginning stages to assist in the improvement of novel and powerful inhibitor against XO. In the experimental materials used by the author, we found 1-(Bromomethyl)-4-chlorobenzene(cas: 622-95-7Recommanded Product: 1-(Bromomethyl)-4-chlorobenzene)
1-(Bromomethyl)-4-chlorobenzene(cas: 622-95-7) undergoes carbonylation in the presence of dimer of chloro(1,5-cyclooctadiene)rhodium(I) to yield the corresponding phenylacetic acid.Recommanded Product: 1-(Bromomethyl)-4-chlorobenzene It can be synthesized by reacting 4-chlorobenzyl alcohol with bromodimethylsulfonium bromide (BDMS) It can also be synthesized by refluxing a mixture of 4-chlorobenzaldehyde, chlorotrimethylsilane, 1,1,3,3-tetramethyldisiloxane and lithium bromide.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics