Purpose: The aim of the present study was to develop potential candidates of integrin αvβ3-targeted imaging agents,which can facilitate the diagnosis and treatment of malignant solid tumor.Methods: In structure-based drug design,docking in conjunction with Molecular Dynamics simulation and binding mode analysis were used to explore the binding mode and key residues of T7 peptide and integrin αvβ3.T7 and T7-6H were derivatized to contain histidine in their sequence at N terminal and were labeled with (99m)Tc via nitrido and carbonyl precursors.The (99m)Tc-labeled T7 derivatives were characterized by Thin Layer Chromatography and studied for their stability.In vitro studies were carried out in αvβ3 high-expressing tumor cells C6,U251 and NCI-H157.