Design, synthesis and biological evaluation of 1,3,4-oxadiazole derivatives

被引：131

作者：

Jha, Keshari Kishore ^{[1
]}

Samad, Abdul ^{[2
]}

Kumar, Yatendra ^{[3
]}

Shaharyar, Mohd. ^{[4
]}

Khosa, Ratan Lal ^{[1
]}

Jain, Jainendra ^{[1
]}

Kumar, Vikash ^{[5
]}

Singh, Priyanka ^{[6
]}

机构：

[1] MIET, Dept Pharmaceut Technol, Meerut, Uttar Pradesh, India

[2] King Saud Univ, Coll Pharm Al Kharj, Dept Pharmaceut Chem, Riyadh, Saudi Arabia

[3] ITS Paramed Coll, Ghaziabad, UP, India

[4] Fac Pharm, New Delhi, India

[5] PDM Coll Pharm, Bahadurgarh, Haryana, India

[6] SITM, Dept Pharm, Barabanki, UP, India

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2010年 / 45卷 / 11期

关键词：

1,3,4-Oxadiazole; Antimicrobial activity; 3D QSAR; kNN-MFA; ANTIINFLAMMATORY ACTIVITY; TOPOLOGICAL INDEXES; PREDICTION; REPRESENTATION; OXADIAZOLES; SELECTION; ATOM;

D O I：

10.1016/j.ejmech.2010.08.003

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

3D QSAR analysis for the 21 molecules of 1,3,4-oxadiazoles was carried out by using k-Nearest Neighbor Molecular Field Analysis (kNN-MFA) combined with various selection procedures. 30 3D QSAR models were generated; one of these models was selected on the basis of q(2) and pred_r(2) values. The selected Model has training set of 17 molecules and test set of 4 molecules with validation (q(2)) and cross validation (pred_r(2)) values of 0.6969 and 0.6148 respectively. Title compounds of 1,3,4-oxadiazole derivatives were synthesized by the ring closure reactions of various acylhydrazides with carbon disulphide (4a-e) and with aromatic acids in POCl3 (5a-e). After structural elucidation, all the synthesized compounds were evaluated for their antimicrobial activity against Escherichia coli, Staphylococcus aureus and Staphylococcus epidermidis. (C) 2010 Elsevier Masson SAS. All rights reserved.

引用

页码：4963 / 4967

页数：5

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