A Computational Approach towards the Development of Newer Anticancer Agents
Javed Sheikh, Harjeet D. Juneja, Vishwas N. Ingle · Journal of Chemistry · 2009
In silico molecular docking analyses of the novel 1‐(2′, 4′‐dihydroxy‐5′‐chlorophenyl)‐3‐aryl‐propane‐1, 3‐diones were performed in the active sites of enzyme cytochrome P450 reductase to obtain new anticancer agents computationally. 1‐(2′, 4′‐dihydroxy‐5′‐chlorophenyl)‐3‐(4"‐methoxy‐phenyl)‐propane‐1, 3‐dione (3f) was found to have maximum affinity for the active sites of enzyme.