Patent ID: 7953557

Claim:
A method of screening for an inhibitor of cytochrome P450 2A6, the method comprising: selecting an inhibitor of cytochrome P450 2A6 by performing a structure based drug design using a three-dimensional structure of human cytochrome P450 2A6 protein in complex with 8-methoxypsoralen which is defined by the atomic coordinates of Table 1, determined from an X-ray diffraction quality co-crystal of human cytochrome P450 2A6 protein in complex with 8-methoxypsoralen, wherein said protein comprises the amino acid sequence as set forth in SEQ ID NO: 2, and wherein said co-crystal has space group P2 1 and unit cell dimensions a=70.66 Å, b=159.03 Å, c=103.88 Å, and β=92.00; and contacting a sample comprising cytochrome P450 2A6 with the inhibitor, thereby reducing the inactivation rate of at least one pharmaceutically active compound.