• Theoretical conformational study of the molecular structures of some bipyridine cardiotonics

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/102/02/0159-0163

    • Keywords

       

      Bipyridine cardiotonics; conformational features; amrinone; milrinone

    • Abstract

       

      Conformational features of amrinone and milrinone have been examined viaab initio (at STO-3G and 3–21G levels) MO theory. The calculated results suggest twisted structures for both the molecules. The higher barrier to rotation of the pyridine ring and restricted conformational flexibility of milrinone are observed to be two significant factors responsible for its greater cardiotonic activity as compared to that of amrinone.

    • Author Affiliations

       

      Apurba Krishna Bhattacharjee1

      1. Department of Chemistry, Lady Keane College, Shillong - 793001, India
    • Dates

       
  • Journal of Chemical Sciences | News

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