Molecular interactions between PAMAM dendrimer and some medicines that suppress the growth of hepatitis virus (Adefovir, Entecavir, Telbivudine, Lamivudine, Tenofovir): a theoretical study

Abstract

Viral hepatitis is a common viral infection, can be dangerous, involves the body and leads to inflammation and destruction of tissue and normal function of the liver. Viral hepatitis is a major cause of premature death in human beings. According to the World Health Organization, it was assumed that there are more than 385 and 170 million carriers of hepatitis B and C in the world, respectively, and more than a million deaths occur due to hepatitis each year. There are a few specific drugs to treat hepatitis. To overcome some of these problems, nanoparticle systems containing organic and inorganic compounds are used for pharmaceutical purpose. One of these nanostructures is dendrimer. Dendrimers are repetitively branched nanomolecules. In this study, a theoretical study of the structural probabilities of nanostructure complex formation between polyamidoamine dendrimers (PAMAM) and some drugs that suppress the growth of hepatitis virus (Adefovir, Entecavir, Telbivudine, Lamivudine, Tenofovir: 1–5) has been carried out. The possibility of drug release, drug delivery and drug separation by PAMAM has been investigated. MMFF94 method has been used to provide results and medical solutions. In all the drug–PAMAM complexes, the relative energy levels of the complex energy have been calculated by the RHF/PM6 method. Medicine delivery, release process of drugs and separation of drugs from the in vivo and in vitro real sample were the main enforceable results obtained from this theoretical study of medicines 1–5 & PAMAM. This model has predicted an imaginary method to separate the medicines from real samples and study the drug release process of the discussed complexes. The imaginary separation procedure that suppresses the growth of hepatitis virus–1–5 medicine mixture in in vitro samples is discussed. It is possible to collect compounds 1 and 2 by PAMAM and separate Adefovir, Telbivudine and Tenofovir (3–5) from the mixture of the sample of medicines 1–5.