2. Academic Validation
  3. Correlation of anti-HIV activity with structure: use of electrostatic potential and conformational analysis

Correlation of anti-HIV activity with structure: use of electrostatic potential and conformational analysis

  • Bioorg Med Chem Lett. 1999 Jul 19;9(14):1963-8. doi: 10.1016/s0960-894x(99)00324-8.
T Mickle 1,  V Nair
Affiliations

Affiliation

  • 1 Department of Chemistry, The University of Iowa, Iowa City 52242, USA.
PMID: 10450963 DOI: 10.1016/s0960-894x(99)00324-8
Abstract

Electrostatic potential distribution, 3-D electron density shapes, and conformational analysis were used to correlate anti-HIV activity or inactivity of AZT, (-) carbovir, oxetanocin A, and 16 isomeric dideoxynucleosides of different families. The structure-activity profile discovered is significant and is expected to contribute to the development of a much needed predictive QSAR analysis in this area.

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