Synthesis And Molecular Docking Of Chlorin Glucoside Compounds

Photodynamic therapy(PDT)is a new tumor-therapy technology.It has a good position in the field of cancer research with the advantages of good tissue selectivity,low side effects,treatment control and short treatment period.In photodynamic therapy,photosensitizer,light,oxygen is called three elements.The most widely studied third-generation photosensitizers are mostly structural derivatives of second-generation photosensitizers that chemically introduce specific chemical groups that play a very important role in drug delivery and tumor targeting The Sugar molecules have very good biocompatibility and specific receptor recognition ability,the use of sugar molecules in the body of the transport and other biological characteristics,the sugar as a targeted / assisted transport of ligands into the photosensitizer,This has gradually become an important branch of photosynthetic drug research.In this paper,Chlorin extracted from Spirulina platensis grown in a interior lake(ChengHai Chlorin,CHC)was used as the lead compound and glucose,galactose and lactose were used as modifying groups to synthesize eight chlorin glucosides at the CHC-131 position and the CHC-152 position by amidation.And eight chlorin glucosides were characterized by 1H-NMR,MS.In this paper,twenty chlorin glycosides were designed as ligands on the basis of compound synthesis.The effects of molecular structure on the expression of glucose transporter(GLUT-1)and galactin-1 were studied by computer simulation.Combined with the effect of screening to develop a new type of photosensitizer with potential for development.Glucose transporter(GLUT-1)and galactinel(Galetin-1)were selected as target proteins,and flexible molecular docking was performed using the flexible Docking module of software Discovery Studio 2.5.The calculated results show that the eight kinds of glycoside compounds have good binding ability,and the RMSD values of the eight compounds are 1.94,2.94,2.20,2.25,0.87,0.80,1.26 and 1.25,respectively.Compounds F16 and F19 have better binding to galactin-1 than synthetic compounds with RMSD values of 0.56 and 0.46.