Synthesis, in vitro urease inhibitory potential and molecular docking study of Benzimidazole analogues

被引：56

作者：

Zaman, Khalid ^{[1
]}

Rahim, Fazal ^{[1
]}

Taha, Muhammad ^{[2
]}

Ullah, Hayat ^{[1
]}

Wadood, Abdul ^{[3
]}

Nawaz, Mohsan ^{[1
]}

Khan, Fahad ^{[1
]}

Wahab, Zainul ^{[4
]}

Shah, Syed Adnan Ali ^{[5
,6
]}

Rehman, Ashfaq Ur ^{[3
]}

Kawde, Abdel-Nasser ^{[7
]}

Gollapalli, Mohammed ^{[8
]}

机构：

[1] Hazara Univ, Dept Chem, Mansehra 21300, Khyber Pakhtunk, Pakistan

[2] Imam Abdulrahman Bin Faisal Univ, IRMC, Dept Clin Pharm, POB 1982, Dammam 31441, Saudi Arabia

[3] Abdul Wali Khan Univ Mardan, Dept Biochem, Mardan 23200, Pakistan

[4] Hazara Univ, Dept Conservat Sci, Mansehra 21300, Pakistan

[5] Univ Teknol MARA, Atta Ur Rahman Inst Nat Prod Discovery AuRIns, Cawangan Selangor Kampus Puncak Alum, Bandar Puncak Alam 42300, Selangor De, Malaysia

[6] Univ Teknol MARA, Fac Pharm, Cawangan Selangor Kampus Puncak Alum, Bandar Puncak Alam 42300, Selangor De, Malaysia

[7] King Fahd Univ Petr & Minerals, Chem Dept, Dhahran 31261, Saudi Arabia

[8] Imam Abdulrahman Bin Faisal Univ, CCSIT, Dept Comp Informat Syst, POB 1982, Dammam 31441, Saudi Arabia

来源：

BIOORGANIC CHEMISTRY | 2019年 / 89卷

关键词：

Synthesis; Benzimidazole; Urease inhibitory potential; Molecular docking; SAR; ALPHA-GLUCOSIDASE SYNTHESIS; BIOLOGICAL EVALUATION; BETA-GLUCURONIDASE; CRYSTAL-STRUCTURE; DERIVATIVES; ACETYLCHOLINESTERASE; THIOSEMICARBAZIDES;

D O I：

10.1016/j.bioorg.2019.103024

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Despite of many diverse biological activities exhibited by benzimidazole scaffold, it is rarely explored for the urease inhibitory potential. For that purpose, benzimidazole analogues 1-19 were synthesized and screened for in vitro urease inhibitory potential. Structures of all synthetic analogues were deduced by different spectroscopic techniques. All analogues revealed inhibition potential with IC50 values of 0.90 +/- 0.01 to 35.20 +/- 1.10 mu M, when compared with the standard thiourea (IC50 = 21.40 +/- 0.21 mu M). Limited SAR suggested that the variations in the inhibitory potentials of the analogues are the result of different substitutions on phenyl ring. In order to rationalize the binding interactions of most active compounds with the active site of urease enzyme, molecular docking study was conducted.

引用

页数：10

共 42 条

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