Observed experimental data were validated by structural docking studies, which confirmed that UA or its derivatives, could bind to cyclins D1 (CycD1) and cyclin-dependent kinases (CDK6), the key regulators of G0/G1 transition in the cell cycle, while the piperazine moiety of 32 could bind with glucokinase (GK), glucose transporter 1 (GLUT1), and ATPase, which are the key proteins involved in cancer cell metabolism. The gene discussed is GK; the disease is cancer.