فهرست مطالب

Chemical Review and Letters
Volume:3 Issue: 1, Winter 2020

  • تاریخ انتشار: 1398/10/11
  • تعداد عناوین: 7
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  • Page 1
  • Evan Abdulkareem Mahmood, Bayan Azizi, Soma Majedi * Pages 2-8

    The present review gives an overview over the synthesis of organic nitriles and azides through the decarboxylative cyanation and azidation of carboxylic acids, respectively. Mechanistic features of the reactions are considered and discussed in detail.

    Keywords: Decarboxylative functionalization, carboxylic acids, organic nitriles, organic azides, single electron transfer
  • Seyyed Amir Siadati *, Mohsen Afzali, Mehdi Sayyadi Pages 9-11

    2019-nCoV, this tiny crowned virus, which was first spread from Wuhan, China, killed thousands of peoples in China, Italy, Iran, and Spain, in a very short period of time. Now, it reaches to most countries all around the world, and thus, it becomes one of the most important threats against all human race. The fact is, the outbreak of this virus showed us, how much our science about the new viruses is weak and insufficient. In the near future, we have to revolutionary increase our knowledge about viruses and controlling those species. Due to the recent reports about the effect of silver nanoparticles (AgNPs) (in vitro and in vivo) on corona virus family especially influenzas, in this study, we have made attempts to take a glance on the effect of AgNPs on the viruses, and ask ourselves "may nano particles inhibit the 2019-nCoV?"

    Keywords: : 2019-nCoV, corona virus, Outbreak, Nano-silver, virus inhibition
  • Zhong Wan *, Rong Sun Pages 12-18
    Using quantitative structure-activity relationship (QSAR) and molecular docking to study the interaction between levofloxacin and thiadiazole histone deacetylase inhibitors. The molecular electrical distance vector (MEDV) and multiple linear regression (MLR) were used to study the relationship between the structure and activity of compounds. The three equations obtained by multiple linear regression, their R2 = 0.976, 0.985 and 0.976, and their Rcv2 = 0.949, 0.977 and 0.932. The structures that affect HDAC1 and HDAC6 activity are -O- and -S-, and the structures that affect HDAC2 are -C- and -N-. Finally, molecular docking is used to study the binding of receptors and drug molecules to provide guidance for future drug design.
    Keywords: MEDV, MLR, Drug design
  • Samira Shafiee, Soodabeh Davaran * Pages 19-22

    The coronavirus outbreak (COVID-19) started in china, on 31 December 2019. COVID-19 is a severe acute respiratory syndrome. Research on COVID-19 treatment strategies for development of an effective drug therapy has attracted worldwide attention recently. So far, no certain cure or specific vaccine has been suggested by Centers for Disease Control and Prevention (CDC) and World Health Organization (WHO) to fight this deadly disease. However, several different treatment protocols have been proposed based on older drugs. Researchers around the world still attempt to evaluate them in clinical trials. In this mini review, we summarize the available drugs that have been used in the treatment of COVID-19 based on the existing guidelines.

    Keywords: COVID-19, Coronavirus, Drug Treatment
  • Maedeh Kamel *, Ali Morsali, Heidar Raissi, Kamal Mohammadifard Pages 23-37
    In this study, it is attempted to scrutinize the noncovalent interaction and two mechanisms of covalent between Flutamide anti-cancer drug (FLU) and functionalized carbon nanotubes (f-CNT) employing density functional theory (DFT) calculations regarding their geometries, binding energies and topological features of the electron density in the water solution. For designed noncovalent interactions, binding energies, natural bond orbital (NBO), atom in molecule (AIM) and quantum molecular descriptors analyses were applied for further understanding of the adsorption process. The computed theoretical results confirmed that binding of Flutamide molecule with functionalized CNT is thermodynamically suitable and among two considered systems containing COOH functionalized CNT (NTCOOH) and COCl functionalized CNT (NTCOCl), the NTCOOH revealed more binding energy value which suggests it as a favorable system as a drug delivery within biological and chemical systems (noncovalent). NTCOOH and NTCOCl can bond to the NH group of flutamide through OH (COOH mechanism) and Cl (COCl mechanism) groups, respectively. Finally, to obtain the values of activation energies, the activation enthalpies and the activation Gibbs free energies of two considered pathways different calculations were performed and the results have been compared with each other. Numerical studies for calculating activation parameters related to the COOH mechanism show higher values than those related to the COCl mechanism and therefore COOH mechanism can be suitable for noncovalent functionalization. These results could be generalized to other similar drugs.
    Keywords: Density functional theory, Flutamide drug, Functionalized carbon nanotubes, Covalent, noncovalent functionalization, Reaction mechanisms
  • Nima Norouzi *, Saeed Talebi Pages 38-52

    Given the greenhouse gas emissions and future biofuels control, it is encouraged to look for alternatives to raw materials and green granular processes in the crop to produce these biodegradable chemicals. In addition, bio-oil or disinfectant crop oil for the production of second-generation biofuels, bio-oil can be processed in various refining units and may also result in green diesel production, which is not only an opportunity but also an opportunity. It's a challenge for the oil industry. Green Oil or Diesel Green can be produced by renewable diesel processing with petroleum oil in the current hydroprocessing unit. Hoping to discover the mechanism and optimization of processing technology by adding quantities of oils and animal fats to the traditional oil refining process, much research and work has been done on the processing process and simultaneous processing processes. Green Oil This is a literature review of green oil production using hydroprocessing and concurrent processing.

    Keywords: Green Petroleum, Biofuel, Hydroprocessing, Hydrocracking, Biodiesel, Bioenergy