Organic anion transporters (OAT1) are present in the kidney and are responsible for transporting metabolic byproducts, toxins, and drugs from the blood . The OAT1 protein contains 12 transmembrane domains and contains a binding site shown in Figure (3). These proteins are present in the kidney and help release waste products as well . Based on 2 experimental studies the protein contains two gate (a top and bottom gate) which opens up and accept the substrates . In the first step the top region of the protein opens us (opening of the top gate) make the substrate accessible to the central cavity . In the next step, the substrate binds to the central cavity . In the final step, the bottom gate opens up and releases the substrate . The 3D structure of OAT1 is shown in Figure . In this figure the protein is inward (open from inside) facing conformation. The substrate binding site is shown in Figure (in box) and 1b. The surface map of the protein with substrate binding cavity is shown Figure . Molecular docking is a computational method used to find the protein-ligand interactions . It is mostly used to find lead chemical compounds for drug discovery in pharmaceutical and biotech companies. In this technique, ligands (small molecules) are docked on the receptors (mostly proteins) and based on the shape and size the ligand binds to the receptor. There are different typed of docking algorithms that are used to find the interaction and rank the ligands based on their docking score. We multiple molecular docking simulations are performed the method is called virtual screening and is widely used to find the hit compounds for drug discovery.