PGP-Miner: A Data and Text Mining Tool for PhysicoChemical and Toxicity Data in P-glycoprotein (P-gp) Inhibitors
摘要
P-glycoprotein (P-gp), also known as ATP-binding cassette sub-family B member 1 (ABCB1) or multidrug resistance protein 1 (MDR1), is a critical ATP-dependent efflux transporter. Understanding the inhibition of P-gp by pharmaceutical products is essential for optimizing drug development. However, extracting physicochemical and toxicity data from diverse literature sources is a significant challenge, requiring extensive time and resources. To address this, we introduce PGP-miner, an innovative data and text mining tool specifically designed for exploring physicochemical and toxicity data related to P-gp inhibitors. PGP-miner systematically screens literature using a comprehensive set of 900 keywords to extract detailed information about drug molecules. This tool efficiently gathers physicochemical properties and toxicity profiles associated with P-gp inhibitors, reducing the need for manual literature review. To demonstrate its effectiveness, PGP-miner was applied to the molecule “Dofequidar”, rapidly extracting detailed physicochemical and toxicity values. The development of PGP-miner represents a significant advancement in the field, providing researchers with a powerful tool for quickly screening potential P-gp inhibitors. By automating and accelerating the screening process, PGP-miner enhances drug discovery efforts, supports informed decision-making, and promotes advancements in developing P-gp-targeted therapeutics.