Molecular orbital calculations for parabens: A possible mechanism of action

• 1 June 1976
• journal article
• research article
• Published by Elsevier in Journal of Pharmaceutical Sciences
• Vol. 65  (6) , 851-855
• https://doi.org/10.1002/jps.2600650613

Abstract

Keywords

• ORBITALS
• MOLECULAR—CALCULATIONS FOR SUBSTITUTED BENZOIC ACID SERIES
• ATOMIC CHARGE DISTRIBUTIONS
• EFFECT OF HYDROXYL AND ESTER GROUPS
• PREFERRED CONFORMATIONS
• PHARMACOKINETICS
• STRUCTURE‐ACTIVITY RELATIONSHIPS
• BENZOIC ACIDS
• SUBSTITUTED—MOLECULAR ORBITAL CALCULATIONS
• PHARMACOKINETICS—SUBSTITUTED BENZOIC ACIDS
• RELATED TO MOLECULAR ORBITAL CALCULATIONS
• STRUCTURE‐ACTIVITY RELATIONSHIPS—SUBSTITUTED BENZOIC ACIDS
• MOLECULAR ORBITAL CALCULATIONS RELATED TO MECHANISM OF ACTION
• PRESERVATIVES—SUBSTITUTED BENZOIC ACIDS
• MOLECULAR ORBITAL CALCULATIONS