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. 2011 Sep 14;3(3):615–635. doi: 10.3390/pharmaceutics3030615

Figure 9.

Figure 9.

Putative three-dimensional (3D) structures of purvalanol A, WHI-P180, gefitinib, roscovitine, bohemine, roscovitine, and olomoucine. The 3D structures (A) and the highest occupied molecular orbits (HOMO) (B) of those CDK inhibitors were generated by ab initio MO calculation as described previously [50].