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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
1
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pubmed:dateCreated |
2010-2-1
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pubmed:abstractText |
A series of 6-substituted-[3-substituted-prop-2-eneamido]benzothiazole 9-32 and 6-substituted-2-[(1-acetyl-5-substituted)-2-pyrazolin-3-yl]aminobenzothiazole 33-56 were synthesized using appropriate synthetic route and evaluated experimentally against maximal electroshock test. Selected compounds were evaluated for neurotoxicity, hepatotoxicity and behavioral study. The most active compound, 6-methyl-2-[(1-acetyl-5-(4-chlorophenyl))-2-pyrazolin-3-yl]aminobenzothiazole 52 exhibited an ED50 of 25.49 micromol/kg, TD50 of 123.87 micromol/kg and high protective index (PI) of 4.86 compared to standard drug phenytoin. The 3D-QSAR analysis was carried out by PHASE program and a statistically reliable model with good predictive power (r2=0.9220, q2=0.8144) was achieved. The 3D-QSAR plots illustrated insights into the structure activity relationship of these compounds which may aids in the design of potent aminobenzothiazole derivatives as anticonvulsant agents.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Jan
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pubmed:issn |
1768-3254
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pubmed:author |
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pubmed:copyrightInfo |
Copyright 2009 Elsevier Masson SAS. All rights reserved.
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pubmed:issnType |
Electronic
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pubmed:volume |
45
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
149-59
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pubmed:meshHeading |
pubmed-meshheading:19853976-Alanine Transaminase,
pubmed-meshheading:19853976-Alkenes,
pubmed-meshheading:19853976-Animals,
pubmed-meshheading:19853976-Anticonvulsants,
pubmed-meshheading:19853976-Aspartate Aminotransferases,
pubmed-meshheading:19853976-Behavior, Animal,
pubmed-meshheading:19853976-Benzothiazoles,
pubmed-meshheading:19853976-Female,
pubmed-meshheading:19853976-Liver,
pubmed-meshheading:19853976-Male,
pubmed-meshheading:19853976-Mice,
pubmed-meshheading:19853976-Models, Molecular,
pubmed-meshheading:19853976-Molecular Conformation,
pubmed-meshheading:19853976-Pyrazoles,
pubmed-meshheading:19853976-Quantitative Structure-Activity Relationship,
pubmed-meshheading:19853976-Rats,
pubmed-meshheading:19853976-Software
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pubmed:year |
2010
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pubmed:articleTitle |
Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole.
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pubmed:affiliation |
Department of Medicinal Chemistry, Sharad Pawar College of Pharmacy, Rashtrasant Tukadoji Maharaj Nagpur University, Nagpur 441 110, Maharashtra, India. nikhilamnerkar@gmail.com
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pubmed:publicationType |
Journal Article
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