A Comprehensive Modeling of Bioenhancers Docked to Transport Proteins to Enhance Bioavailability

With pharmaceutical availability being a pertinent issue in modern medicine, the ability of bioenhancers to increase bioavailability drug, thereby reducing required dosage, can be critical for treatment costs. Flavonoids, one form bioenhancers, are metabolites that through inhibition key proteins gut epithelial cells and transport proteins. Bioenhancers have potential inhibit limit absorption, thus increasing amount target drug enter systemic circulation, bioavailability. P-glycoprotein (P-gp) is membrane whose function drugs out cell. Human serum albumin (HSA), most abundant protein human plasma, serves several signals other compounds throughout circulatory system. This study assessed binding various (piperine, quercetin, capsaicin, naringin, genistein, lysergol, sinomenine, tangeretin) forms P-gp, HSA ABC transporters improve We hypothesized would bind these proteins, inhibiting them bioavailability.An examination geometric shape complementarity scores PatchDock affinities (ΔG kcal/mol) from three web servers (Webina, DockThor, CB-Dock) showed naringin produces optimal overall. Given promising scores, data provides insight into administering with bioavailability, as well suggesting may valuable compound conduct further tests vitro vivo.