Khalida Bano, Sana Farman, Riffat Touheed, Najaf Abbas Ghafoor and Naheed Akhtar
Abstract
Conformational analysis and geometry optimization of 2-(4-phenylbutylamino)-5-(3-pyridylmethyl)-4-pyrimidone is
performed according to old approach GW BASIC programming and new approaches ACD Chemsketch and Argus lab
4 Softwares. The conformational changes and potential energy calculated and predicted. Results of GW BASIC
programming and ArgusLab 4.0.1 software shown that the minimum total potential energy is -0.0056 kcal/mole at ω1
= 270° and ω2= 340° and from all pairs and Final SCF Energy - 80741.3979 kcal/mol respectively.
Khalida Bano, Sana Farman, Riffat Touheed, Najaf Abbas Ghafoor and Naheed Akhtar. (2011) COMPUTER AIDED DRUG DESIGNING OF HISTAMINE H2 RECEPTOR ANTAGONIST CIMETIDINE DERIVATIVE FOR THE TREATMENT OF DUODENAL ULCER, , Volume 08, Issue 4.
