Iterative in silico identification of P-glycoprotein inhibitors.

A recent preprint abstract discusses the development of novel inhibitors for P-glycoprotein (P-gp), a transporter that plays a role in multidrug resistance (MDR) in cancer cells. The researchers used virtual-assisted drug discovery to identify compounds that target the nucleotide binding domains of P-gp, which are underutilized as drug discovery targets. Through an iterative screening process, they identified nine novel P-gp inhibitors that reversed MDR in human cancer cell lines. These inhibitors were chemically diverse, non-toxic to non-cancerous cells, and not transport substrates of P-gp. However, it is important to note that this research has not yet undergone peer review. [Extracted from the article]