The aim of this study was to evaluate the potential of using Aceto hydroxyl acid synthase as an alternative of Pyruvate decarboxylase (PDC) for production of L-phenyl acetyl carbinol. After preparing 3D structures of AHAS and PDC and alignment of sequences, the molecular docking of PDC and AHAS were done in order to find the most active protein. All molecules were optimized before docking and the highest Mol Dock score was reported. It was confirmed that AHAS had valuable affinity to pyruvate molecule which could subsequently resulted in high L-PAC production yield. The estimated production yield of L-PAC using AHAS obtained according to previous articles was reasonably higher than PDC. This study revealed the valuable affinity of AHAS to benzaldehyde and presented estimation of its production yield of this enzyme in compare to PDC.