role in, and transcription factors that play crucial role in cell functioning. In addition, it plays,it plays a vital role in DNA synthesis, cell division, immune, wound healing, and cell signaling. A lower zinc concentration functioning causes impaired cell functioning causes impaired cell functioning, and a high concentration may result in toxicity inside cells, degeneration of neurons, and diabetes. Therefore, maintaining an appropriate amount of zinc inside the cell is very important. Zinc transporters (ZnT) are proteins on the plasma membrane and regulate the zinc ion concentration inside the cells. ZnT effluxs the zinc ions outside the cells. These transporters are located on the surface of the plasma membrane. The 3D structure of ZnT is shown in Figure . Based on experimental studies, the protein exists in two conformations: inward facing and outward facing. In the inward-facing confirmation, the protein is open towards the cytoplasm by forming Cavity I, and in the outward-facing confirmation, the protein is open towards the periplasm by forming Cavity II (Figure ). These conformation changes are crucial in zinc ion transportation. ZnT contains three zinc-binding sites: Site A, Site B, and Site C. During ion transport, the zinc ion moves from cytoplasm > Site B > Site A and eventually releases to the periplasm. Site C is not involved in the transport of zinc ions. Molecular docking is a popular computational technique used in structure-based drug design. It finds the interactions between a receptor (protein) and ligand by forming a protein-ligand complex. Virtual screening is a branch of molecular docking where a large number of ligands are screened for one protein. This technique is prevalent in pharma and biotech companies in finding lead chemical compounds against a specific target. Since these simulations are performed virtually, they are cost-effective (as no sophisticated machines or chemicals are involved) and save time. In the current research, we have used this tool to predict the binding orientation of a ligand to a target zinc transporter protein to form a stable protein-ligand complex. The binding is predicted based on the interactions between protein and ligand. In the current research work, we have used Autodock software to perform the docking process. This software employs a docking algorithm, which employs scoring functions to find the binding affinity between protein and ligand.