Abstract.
In conformational analysis, the systematic search method completely maps the space but suffers from the combinatorial
explosion problem because the number of conformations increases exponentially with the number of free rotation angles. This
study introduces a new methodology of conformational analysis that controls the combinatorial explosion. It is based on a
dimensional reduction of the system through the use of principal component analysis. The results are exactly the same as those
obtained for the complete search but, in this case, the number of conformations increases only quadratically with the number of
free rotation angles. The method is applied to a series of three drugs: omeprazole. pantoprazole, lansoprazole-benzimidazoles
that suppress gastric-acid secretion by means of H⁺, K⁺-ATPase enzyme inhibition.

Keywords.
Principal Component Analysis; Chemometric; Omeprazole; Pantoprazole; Lansoprazole; Conformational Analysis.

Keywords Plus.
Principal Component Analysis; Genetic Neural Networks; Chemical Information; Pharmacokinetics; Pantoprazole; Optimization;
Parameters; Affinity; Space; Set.