The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbamazepine

Research output: Contribution to journalJournal articleResearchpeer-review

A number of case studies that illustrate how quantum chemistry may be used in studying pharmaceutical systems are reviewed. A brief introduction to quantum methods is provided and the use of these methods in understanding the structure and properties of indometacin and carbamazepine is discussed. The use of calculated structures and molecular electrostatic potentials in developing quantitative structure-activity relationships is discussed along with the use of computation chemistry to predict spectroscopic properties.
Original languageEnglish
JournalJournal of Pharmacy and Pharmacology
Issue number2
Pages (from-to)271-7
Number of pages7
Publication statusPublished - 2007

    Research areas

  • Binding Sites, Carbamazepine, Indomethacin, Molecular Structure, Quantum Theory, Spectrophotometry, Infrared, Spectrum Analysis, Raman, Technology, Pharmaceutical

ID: 40354461