• List of Articles nucleic acid

      • Open Access Article

        1 - effect of G-quadruplex on aromaticity of phenanthroline based ligands: mlecular dynamics simulation and density functional theory methods
        Mohadese Bazobandi Mohammad Reza Bozorgmehr Ali Mahmoudi Ali Morsali
        G-quadruplexes are biostructures that are used as biomarkers. These compounds are composed of four guanine sheets. Studying the interaction of G-quadruplex with planar ligands is very important. In this work, the effect of G-quadruplex on the aromaticity of three phenan More
        G-quadruplexes are biostructures that are used as biomarkers. These compounds are composed of four guanine sheets. Studying the interaction of G-quadruplex with planar ligands is very important. In this work, the effect of G-quadruplex on the aromaticity of three phenanthroline based ligands was studied by molecular dynamics simulation and density functional theory. The investigated ligands are: N,N'-(dibenzo [b,j] [1,7]phenanthroline-2,10-diylbis (methylene)) die-thanamine (L1), N,N'-(dibenzo [b,j] [1,7] phenanthroline-2,10diylbis (methylene)) bis (N-methylpropan-1-amine) (L2) and N1-(dibenzo [b, j] [1,7] phenanthroline-7-ylmethyl)-N3 -methy lpropane-1,3-diamine (L3) which have 5 aromatic rings in their structure. To check the effect of temperature, calculations were repeated at four temperatures of 20, 40, 60 and 80 degrees Celsius. The HOMA index was calculated as an index of the aromaticity of the rings. The obtained results show that the L1 ligand has higher aromaticity than the other two ligands. Also, as the temperature increases, the aromaticity of the ligand rings decreases. On the other hand, the terminal two rings of the ligands are more affected by G-quadruplex. In general, the aromaticity of the five-membered rings of the ligands increases with the interaction with the G-quadruplex. Manuscript profile
      • Open Access Article

        2 - Studying the π-π interaction between single-stranded oligonucleotides and single-walled carbon nanotubes by molecular dynamics simulation and density functional theory
        Mohammad Reza Bozorgmehr Maryam Ghanbari Ghanbarloo Ali Morsali
        Carbon nanotubes are used in smart drug delivery due to their biocompatibility. However, due to the non-polar nature of these compounds, their use in the in vivo environment is limited. To solve this limitation, functionalization of nanotubes is used. Biological compoun More
        Carbon nanotubes are used in smart drug delivery due to their biocompatibility. However, due to the non-polar nature of these compounds, their use in the in vivo environment is limited. To solve this limitation, functionalization of nanotubes is used. Biological compounds such as nucleic acids are used to functionalize nanotubes. Understanding the interaction mechanism of nanotubes with biological compounds can help in smart drug delivery. In this research, the interaction of four homocopolymers of organic bases adenine, guanine, cytosine and thymine with carbon nanotubes was studied by molecular dynamics simulation and density functional theory. The distance between the two ends of each homocopolymer and the number of atoms of the organic base rings of the homocopolymers were calculated. These two quantities were used to calculate the probability of the system being in different states. Then, the Gibbs free energy for each interaction was calculated using the calculated probabilities. The results show that purine homocopolymers surround the carbon nanotube, while pyrimidine homocopolymers are placed on the surface of the nanotube. The number of monomers with π-π interaction in homocopolymer with guanine 4, adenine 3, cytosine and thymine 2 was obtained. Manuscript profile
      • Open Access Article

        3 - A Biosensor for the Detection of Type b3a2 Related to Chronic Myelogenous Leukemia by Using Locked Nucleic Acid, Molecular Switching, Magnetic Nanoparticles, and Enzymatic Signal Amplification
        Hamzeh Amoshahi Mohammad Reza Mohammad Shafiee Shabnam Kermani Mehrosadat Mirmohammadi
      • Open Access Article

        4 - International and Iranian leading corona vaccine: classification, structure, efficacy, and side effects
        Seyedeh-Masoumeh Taghizadeh Alireza Ebrahiminezhad
        Following the global spread of the new coronavirus, extensive international and national efforts were made to develop a vaccine against the virus. Pharmaceutical giants such as Pfizer, Johnssen Biotech, Astrazeneca, Sinovac, Modrena, Biontec, Bharat, Finlay and China Na More
        Following the global spread of the new coronavirus, extensive international and national efforts were made to develop a vaccine against the virus. Pharmaceutical giants such as Pfizer, Johnssen Biotech, Astrazeneca, Sinovac, Modrena, Biontec, Bharat, Finlay and China National Biotech Group, along with research institutes such as the University of Oxford and the Gamalia Research Center, are examples of companies and centers that were able to be more successful than other competitors in the speed race to make and produce Corona vaccine. In Iran, the attempts to make this vaccine were quickly made and Iranian companies and organizations such as Shafa Pharmed, Imam Khomeini Executive Headquarters, Ministry of Defense, Pasteur Institute and Razi Vaccine and Serum Research Institute are obliged to make efforts in this regard. At present, the corona vaccine produced by these companies and institutions has either received a license or is in the   final stages of clinical studies. Many review articles on these vaccines have been published in    international journals, but just a few articles refer to the efforts made in Iran. Therefore, in the   present article, an attempt has been made to classify and evaluate the structure, efficacy and side effects of these leading international and Iranian coronavirus vaccines. Hence, the information published by the World Health Organization, the US Centers for Disease Control, pharmaceutical companies, reputable research centers and domestic and foreign organizations were employed.   Manuscript profile