A Theoretical Analysis of the Differential Chemical Reaction Results Caused by Chirality Induction

Abstract

The theory of electron spin has been proposed for a century, but the study of quantum effects in biological molecules is still in its infancy. Chirality-induced spin selectivity (CISS) is a very modern theory that can explain many biochemical phenomena. In this paper, we propose a new theoretical model based on CISS theory and quantum chemistry theory, which can well explain the theoretical explanation of the chiral selectivity of chiral proteins. Moreover, this theory can predict the spin state of corresponding chiral molecules. Taking the L-DOPA and AADC enzymes as examples, this theoretical model elucidates the AADC enzyme’s chiral catalysis selectivity and successfully predicts the spin state of L-DOPA and D-DOPA’s valence electrons.

Keywords

• chiral drugs
• chirality-induced spin selectivity (CISS)
• chiral enzymes
• L-DOPA
• AADC enzyme