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<p>Synthesis, antiinflammatory evaluation and docking analysis of some novel <br /> 1,3,4-oxadiazole derivatives</p>

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Title Statement <p>Synthesis, antiinflammatory evaluation and docking analysis of some novel <br /> 1,3,4-oxadiazole derivatives</p>
 
Added Entry - Uncontrolled Name Khatale, Pravin N; Department of Pharmaceutical Chemistry, SGSPS Institute of Pharmacy, Akola 444 001, India
Bhajipale, Nitin S; Department of Pharmaceutical Chemistry, SGSPS Institute of Pharmacy, Akola 444 001, India
Thangavel, Sivakumar ; Department of Pharmaceutical Chemistry, Nandha College of Pharmacy, Erode 638 052, India
Thangavelu, Prabha ; Department of Pharmaceutical Chemistry, Nandha College of Pharmacy, Erode 638 052, India
Mahajan, N S ; Department of Pharmaceutical Chemistry, Adarsh College of Pharmacy, Vita 415 311, India
 
Uncontrolled Index Term 1,3,4-Oxadiazole, cyclooxygenase-2, anti-inflammatory, docking, MOE
 
Summary, etc. <p style="text-align: justify;">In the present study, novel series of 5-{[4-(acetylamino) phenoxy] methyl}-1,3,4-oxadiazole-2-yl-sulfanyl-N-substituted-2-acetamide/2-propanamide/3-propanamide derivatives (<strong>8a</strong> to <strong>8c</strong>, <strong>9a</strong> to <strong>9c</strong> and <strong>10a</strong> to <strong>10c</strong>) have been synthesized. The newly synthesized compounds have been tested for their anti-inflammatory and anti-ulcerogenic activities <em>in vivo</em>. Among the present series the compound <strong>8c</strong> is found to be most active against inflammation with inhibition of 65.34% and has been observed to be safe ulcerogenically. It is observed that introduction of an asymmetric centre near the sulfur atom decreases the activity. Molecular docking simulations have been carried out for the compounds. Structures from all the series fit into the active site of cyclooxygenase-2 enzyme with least binding energies and exhibit favorable binding interactions required for the selective inhibition of cyclooxygenase- 2.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry (IJC)
2022-07-05 16:01:12
 
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http://op.niscair.res.in/index.php/IJC/article/view/64206
 
Data Source Entry Indian Journal of Chemistry (IJC); ##issue.vol## 61, ##issue.no## 6 (2022): Indian Journal of Chemistry-(IJC)
 
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