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Researchers from the University of Colorado Boulder conducted a study on how HIV-1 antiretrovirals interact with P-glycoprotein, a protein that limits drug access to the brain. The study used molecular dynamics simulations to investigate the behavior of antiretrovirals as substrates or inhibitors of P-glycoprotein. The findings suggest that understanding these interactions could lead to the development of future therapeutics for conditions like HIV-1. The research was funded by organizations such as the National Science Foundation and the NIH. [Extracted from the article]

The compound as recited in claim 1, wherein the target protein is one of an enzyme, a cell cycle control protein, a docking protein, a surface receptor, and a component of a signal transduction cascade. [Extracted from the article]