Dynamic chirality in selected diaryl methane containing drugs. An exploratory ab initio conformational study

S. E. Villagra, M. B. Santillán, A. M. Rodríguez, G. A. Chasse, M. L. Freile, S. Zacchino, P. Mátyus, R. D. Enriz

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Diaryl methane molecules (Ar-CH2-Ar) represent double rotor conformational problems. The simplest diaryl methane, diphenyl methane (Ph-CH2-Ph), governs certain symmetric conformational potential energy surface (PES) topology. With the replacement of one of the phenyl groups by a heterocyclic moiety, the PES topology may change dramatically. The induction of point-chirality, in the prochiral CH2 group, by axis-chirality or plane-chirality is explored within the framework of 'dynamic chirality'.

Original languageEnglish
Pages (from-to)217-228
Number of pages12
JournalJournal of Molecular Structure: THEOCHEM
Volume549
Issue number3
DOIs
Publication statusPublished - Aug 13 2001

Keywords

  • Ab initio MO computations
  • Anti-HIV and antifungal compounds
  • Diaryl methane
  • Dynamic chirality
  • Molecular conformations
  • Point-chirality induced in prochiral CH

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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    Villagra, S. E., Santillán, M. B., Rodríguez, A. M., Chasse, G. A., Freile, M. L., Zacchino, S., Mátyus, P., & Enriz, R. D. (2001). Dynamic chirality in selected diaryl methane containing drugs. An exploratory ab initio conformational study. Journal of Molecular Structure: THEOCHEM, 549(3), 217-228. https://doi.org/10.1016/S0166-1280(01)00354-2