Synthesis, anti-inflammatory evaluation, and docking studies of some new thiazole derivatives

被引：52

作者：

Deb, Pran Kishore ^{[1
]}

Kaur, Rajwinder ^{[2
,3
]}

Chandrasekaran, Balakumar ^{[2
,3
]}

Bala, Madhu ^{[2
,3
]}

Gill, Dilshad ^{[2
,3
]}

Kaki, Venkat Rao ^{[2
,3
]}

Akkinepalli, Raghuram Rao ^{[4
]}

Mailavaram, Raghuprasad ^{[5
]}

机构：

[1] Int Med Univ IMU, Sch Pharm, Pharmaceut Chem Div, Kuala Lumpur 57000, Malaysia

[2] Panjab Univ, UIPS, Pharmaceut Chem Div, Chandigarh 14, India

[3] Panjab Univ, Ctr Adv Study Pharmaceut Sci UGC CAS, Chandigarh 14, India

[4] Kakatiya Univ, Univ Coll Pharmaceut Sci, Div Med Chem, Warangal 506009, Andhra Pradesh, India

[5] Sri Vishnu Coll Pharm, Pharmaceut Chem Div, Vishnupur, Andhra Pradesh, India

来源：

MEDICINAL CHEMISTRY RESEARCH | 2014年 / 23卷 / 06期

关键词：

Microwave assisted synthesis; Thiazole derivatives; Anti-inflammatory activity; COX-2 docking studies; ADME prediction;

D O I：

10.1007/s00044-013-0861-4

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A series of new 2-substituted-N-(1,3-thiazole-2-yl)acetamide 3-7 and N-(benzo[d]thiazol-2-yl)-2-(substituted)acetamide 10-13 derivatives have been synthesized and evaluated in vivo (rat paw edema) for their anti-inflammatory activities and in silico(docking studies) to recognize the hypothetical binding motif of the title compounds with the cyclooxygenase isoenzyme (COX-2) employing GLIDE software (Schrodinger Inc.). The compounds, 10-13 were found to have good anti-inflammatory activities [around 84-93 % of the standard: indomethacin]. The binding mode of the title compounds has been proposed based on the docking studies. Further, the predicted ADME properties of all the tested compounds were found to be in the ranges as predicted by QikProp for 95 % of known oral drugs and also satisfy the Lipinski's rule of five.

引用

页码：2780 / 2792

页数：13

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