QSAR Based Design & Synthesis

Priyal Jain

ISBN 10: 3846586021 / ISBN 13: 9783846586020

Editore: LAP LAMBERT Academic Publishing Feb 2012, 2012

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Neuware -We carried out a QSAR study on benzotriazine derivatives & studied 28 potent GABAA receptor ligands; derivatives of benzotriazines, using a combination of various physicochemical, steric, electronic and thermodynamic descriptors to determine the quantitative correlation between binding affinity and structural features with potent anticonvulsant activity. Correlation between these properties and anticonvulsant activity was used to synthesize compounds possessing potent anticonvulsant activity. Most of the compounds showed an ability to inhibit the maximum electroshock (MES) and pentylenetetrazole (PTZ)-induced convulsions. Compound 1A, i.e. 2-(4-Chloro-phenyl)-5-nitro-1H-benzimidazole exhibited maximum activity.Books on Demand GmbH, Überseering 33, 22297 Hamburg 76 pp. Englisch.

Codice articolo 9783846586020

Dati bibliografici

• Titolo: QSAR Based Design & Synthesis
• Editore: LAP LAMBERT Academic Publishing Feb 2012
• Data di pubblicazione: 2012
• Lingua: Inglese
• ISBN 10: 3846586021
• ISBN 13: 9783846586020
• Rilegatura: Taschenbuch
• Condizione: Neu

Descrizione articolo

Riassunto

We carried out a QSAR study on benzotriazine derivatives & studied 28 potent GABAA receptor ligands; derivatives of benzotriazines, using a combination of various physicochemical, steric, electronic and thermodynamic descriptors to determine the quantitative correlation between binding affinity and structural features with potent anticonvulsant activity. Correlation between these properties and anticonvulsant activity was used to synthesize compounds possessing potent anticonvulsant activity. Most of the compounds showed an ability to inhibit the maximum electroshock (MES) and pentylenetetrazole (PTZ)-induced convulsions. Compound 1A, i.e. 2-(4-Chloro-phenyl)-5-nitro-1H-benzimidazole exhibited maximum activity.

L'autore

Priyal Jain Asst. Prof Sagar Institute of Research and Technology-Pharmacy, Bypass Road, Bhopal-462036 (M.P), India. He has devoted their work to develop different 3D & 2D QSAR models for drug design.