Virtual Screening of Different Subclasses of Lignans with Anticancer Potential and Based on Genetic Profile

Cancer is a multifactorial disease that continues to increase. Lignans are known be important anticancer agents. However, due the structural diversity of lignans, it difficult associate activity with particular subclass. Therefore, present study sought evaluate association lignan subclasses antitumor activity, considering genetic profile variants selected targets. To do so, predictive models were built against targets tyrosine-protein kinase ABL (ABL), epidermal growth factor receptor erbB1 (EGFR), histone deacetylase (HDAC), serine/threonine-protein mTOR (mTOR) and poly [ADP-ribose] polymerase-1 (PARP1). Then, single nucleotide polymorphisms mapped, target mutations designed, molecular docking was performed lignans best predicted biological activity. The results showed more in dibenzocyclooctadiene, furofuran aryltetralin subclasses. values varying binding energy presence certain variants.