Biology-oriented drug synthesis (BIODS) of 2-(2-methyl-5-nitro-1H-imidazol-1-yl) ethyl aryl ether derivatives, in vitro α-amylase inhibitory activity and in silico studies

被引：79

作者：

Taha, Muhammad ^{[1
]}

Imran, Syahrul ^{[2
,3
]}

Ismail, Nor Hadiani ^{[2
,3
]}

Selvaraj, Manikandan ^{[4
]}

Rahim, Fazal ^{[5
]}

Chigurupati, Sridevi ^{[6
]}

Ullah, Hayat ^{[5
]}

Khan, Fahad ^{[5
]}

Salar, Uzma ^{[7
]}

Javid, Muhammad Tariq ^{[5
]}

Vijayabalan, Shantini ^{[6
]}

Zaman, Khalid ^{[5
]}

Khan, Khalid Mohammed ^{[7
]}

机构：

[1] Univ Dammam, IRMC, Dept Clin Pharm, Dammam 31441, Saudi Arabia

[2] Univ Teknol MARA UiTM, Atta Ur Rahman Inst Nat Prod Discovery, Puncak Alam Campus, Bandar Puncak Alam 42300, Selangor De, Malaysia

[3] UiTM Shah Alam, Fac Sci Appl, Shah Alam 40450, Selangor De, Malaysia

[4] Univ Teknol MARA UiTM, Integrat Pharmacogen Inst iPROMISE, Puncak Alam Campus, Bandar Puncak Alam 42300, Selangor Darul, Malaysia

[5] Hazara Univ, Depatment Chem, Mansehra 21300, Khyber Pakhtunk, Pakistan

[6] AIMST Univ, Fac Pharm, Dept Pharmaceut Chem, Semeling 08100, Bedong, Malaysia

[7] Univ Karachi, HEJ Res Inst Chem, Int Ctr Chem & Biol Sci, Karachi 75270, Pakistan

来源：

BIOORGANIC CHEMISTRY | 2017年 / 74卷

关键词：

BIODS; Metronidazole; Synthesis; alpha-amylase; In vitro; In silico; Structure-activity relationship (SAR); MOLECULAR DOCKING; BETA-GLUCURONIDASE; GLUCOSIDASE INHIBITORS; POTENT; IDENTIFICATION; ANALOGS; HYBRIDS; KINASE;

D O I：

10.1016/j.bioorg.2017.07.001

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：

A new library of 2-(2-methyl-5-nitro-1H-imidazol-1-yl) ethyl aryl ether derivatives (1 - 2 3) were synthesized and characterized by EI-MS and H-1 NMR, and screened for their alpha-amylase inhibitory activity. Out of twenty-three derivatives, two molecules 19 (IC50 = 0.38 +/- 0.82 mu M) and 23 (IC50 = 1.66 +/- 0.14 mu M), showed excellent activity whereas the remaining compounds, except 10 and 17, showed good to moderate inhibition in the range of IC50 = 1.77-2.98 mM when compared with the standard acarbose (IC50 = 1.66 +/- 0.1 mu M). A plausible structure-activity relationship has also been presented. In addition, in silico studies was carried out in order to rationalize the binding interaction of compounds with the active site of enzyme. (C) 2017 Elsevier Inc. All rights reserved.

引用

页码：1 / 9

页数：9

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