Background: Breast cancer (BC) is second highest cause of cancer-related deaths all over the world, from uncontrolled cell growth that spreads to other organs in human body results metastasis. Paclitaxel is the popular drug used for treatment of breast cancer but it has demerit like poor membrane permeability and high side effects. Methodology: In this study we performed structural homology modeling by I-Tasser, refine, validation of protein structure, molecular docking, molecular dynamics simulation and its interactions with PTX, and mechanism of Paclitaxel transportation by organic anion transporter in breast cancer cells by computational approaches