MOLECULAR DOCKING OF 4-AZIDO-2-(4-SUBSTITUTED-PHENYL)-5-(2NITROPHENYL)-2H-1,2,3-TRIAZOLES

被引：1

作者：

Abdullayeva, Afaq A. ^{[1
]}

Ahmadova, Nigar E. ^{[1
]}

Atakishiyeva, Gulnar T. ^{[1
]}

Zeynalli, Nazrin R. ^{[1
]}

Shikhaliyeva, Irada M. ^{[1
]}

Ibrahimova, Shafiga A. ^{[1
]}

Ahmadova, Irada J. ^{[1
]}

Shikhaliyev, Namiq Q. ^{[1
]}

Maharramov, Abel A. ^{[1
]}

机构：

[1] Baku State Univ, Dept Organ Chem, Baku, Azerbaijan

来源：

NEW MATERIALS COMPOUNDS AND APPLICATIONS | 2024年 / 8卷 / 01期

关键词：

Triazoles; molecular docking; SwissADME prediction software; SPIRO BIS(1,2,3-TRIAZOLIUM) SALTS; HYDROGEN-BONDS; HALOGEN; DESIGN;

D O I：

10.62476/nmca8105

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular docking of 4-azido-2-(4-substituted-phenyl)-5-(2-nitrophenyl)-2H-1,2,3-triazoles was fulfilled by means of SwissADME prediction software and carried out analysis on P-glycoprotein and Cytochrome P450 isoenzymes as well as calculations of the pharmacokinetic properties of the compounds. 4-azido-2-(4-substituted-phenyl)-5-(2-nitrophenyl)-2H-1,2,3-triazole were considered as molecules which meet the requirements for the synthesis of medicinal substances. At the same time, by means of Swiss Targeted Prediction software were made calculations using the Brain or Intestine permeability method (BOILED -Egg) and obtained positive results.

引用

页码：5 / 12

页数：8

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