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In silico Study of 1,687 FDA Approved Drugs and 612 Natural Products Reveals Benzydamine’s Potential as a Direct Inhibitor of TNF-α

Journal: International Research Journal of Pharmacy and Medical Sciences (IRJPMS) (Vol.2, No. 1)

Publication Date:

Authors : ;

Page : 13-18

Keywords : ADME; affinity; analogs; chirality; hydrophobic effect; magic methyl; specificity; TNF-α; trimer;

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1,687 FDA approved drugs and 612 natural products were screened in search of an inhibitor for TNF-α. Small molecule drugs that can directly regulate TNF-α levels or activity might provide a cost effective alternative to protein-based therapeutics. The results of the virtual screening assay reveal Benzydamine as a potential inhibitor of TNF-α. Benzydamine is a non-steroidal topical agent used to treat oral inflammatory conditions. It has also been shown to suppress the production of pro-inflammatory cytokines like tumor necrosis factor alpha (TNF-α) and interleukin 13 (IL-13). However, benzydamine has not been previously reported as a direct inhibitor or TNF-α. Herein, we describe the evolution of benzydamine into four promising analogs; Benzydam (A, B, C, D). All four analogs possessed higher interaction affinity and desirable ADME properties serving as a favorable prototype for the development of an innovative cancer drug.

Last modified: 2019-02-07 15:54:53