Interaction of an anti-cancer drug crizotinib with serum albumin: a docking study

Shadi Alavi bajestani,1,* Mohammad reza bozorgmehr,2 Hamid hashemimoghadam,3

1. Islamic Azad University
2. Islamic Azad University
3. Islamic Azad University



Cancer treatment is one of the major challenges of medical science today. among them, lung cancer is a common type of cancer. an anti-cancer drug, crizotinib, is an inhibitor of the growth of this type of tumor spread throughout the body to prevent or slow down their growth. crizotinib medication prevents the proliferation of lung cancer cells through the mechanism of inhibiting ros1 and alk activity. the necessity of this study is because human serum albumin is commonly used as a protein-protein and a widely used drug carrier for describing a protein-drug complex.


In this study, the association of crizotinib with an albumin protein of human albumin was performed by docking method using autodock vina 1.1.2 software.


In crizotinib, there are also nitrogen-containing, chlorinated and fluoride groups, which are expected to contain protein in addition to physical interactions. some of the amino acids involved in conjugating with crizotinib drug include tryptophan 21, serine 202, and phenylalanine 212. this drug is located in the second group of spiral serum albumin structures.


In linking crizotinib to albumin, the mandibular forces play a greater role in other physical interactions. in the interaction of crizotinib with human serum albumin, aromatic amino acids play a greater role in other amino acids. in fact, the contribution of the electrostatic forces in the interaction is negligible.


Anti-cancer, albumin, docking, crizotinib