Theoretical aspects of interaction of the anticancer drug cytarabine with human serum albumin.

ABSTRACT: Despite diagnostic and therapeutic methods, cancer is a major cause of death worldwide. Since anticancer drugs affect both normal and cancer cells, targeted drug delivery systems can play a key role in reducing the destructive effects of anticancer drugs on normal cells. In this regard, the use of stimulus-sensitive polymers has increased in recent years. This study has attempted to investigate interaction of the anticancer drug cytarabine with a stimuli-sensitive polymer, human serum albumin (HSA), one of the most abundant protein in blood plasma, via computational methods at both body temperature and tumor temperature. For this purpose, molecular docking was performed using Molegro virtual Docker software to select the best ligand in terms of binding energy to simulate molecular dynamics

SUBMITTER: Amirinasab M 

PROVIDER: S-EPMC10052281 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature