In the current work we have utilized computational tools to predict the ligands that can not only bind to the OAT1 protein but can also potentially inhibit the protein. Since OAT1 protein plays a critical role in the ion transport mechanism, inhibiting them could optimize drug concentration in the bloodstream and reduce toxicity. The ligands bind to the aromatic cage (central cavity) of the protein. This cage is considered as the target of the protein as other known drugs bind at this site. In summary, it will be crucial to study the OAT1 protein inhibitors and will aid in developing drug targeting against OAT1. Another pharmaceutical drug that inhibits the OAT1 activity is probenecid that binds to the ligand binding site of the protein. The drug is responsible for inhibiting the uric acid reabsorption performed by OAT1. There are two aspects of the current research work; inhibiting OAT1 can increase the drug level in blood; and (2) inhibiting OAT1 also prevents the reabsorption of certain drugs. For instance, inhibiting OAT1 can increase the drug concentration of methotrexate and Oseltamivir in autoimmune diseases and influenza, respectively. On the other hand, inhibiting OAT1 can prevent the nephrotoxicity caused by reabsorption of Cidofovir, an antiviral drug.