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Suganya, M., Indumathy, L. and Sunmathi, S. (2018) In Silico Calculations of Dipole mOment by DFT and Drug Activity Predictions for the Bioactive Constituent Present in Coleus Aromatics. International Research Journal of Engineering and Technology (IRJET), 5, 268-273.

has been cited by the following article:

• TITLE: Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations

  AUTHORS: Raghad Alajlani, Amal Alssadi

  KEYWORDS: Flutab®, DFT Calculations, HF Calculations, Dipole Moment

  JOURNAL NAME: Open Journal of Physical Chemistry, Vol.9 No.4, November 8, 2019

  ABSTRACT: Many of the technology and computational chemistry applications are used to study drugs and their biological effects. Flutab® drug contains Paracetamol, Diphenhydramine and Pseudoephedrine. Ab-initio calculations were performed at DFT/B3LYP and HF methods with three basis sets, namely, STO-3G, 3-21G, and 6-31G(d) in order to calculate the dipole moments of the three constituents of Flutab® drug. The Diphenhydramine compound was found to be the most stable constituent, with the lowest value of dipole moment.