Investigating The Interaction Of Several Candidate Drugs For COVID-19 With DNA/Protein

The emergence of COVID-19 infection has had a serious impact on economies and people’s lives around the world.To date,symptomatic treatment with existing drugs remains the mainstay of treatment for patients with moderate to mild symptomatic COVID-19 infections.Based on the multiple versions of treatment protocols issued by our country and the World Health Organization,we focused on the following four promising therapeutic candidates: Chloroquine,Hydroxychloroquine,Abidorl and Molnupinavir.Proteins and DNA are important functional macromolecules in living organisms and are the transport carriers or targets of many exogenous drugs in addition to their function in maintaining the physiological environment.Therefore,they are considered important research models in the field of biology and medicine.Exploring the interactions of chloroquine,hydroxychloroquine,abidorl and monupinavir with biological macromolecules can provide a comprehensive understanding of the processes and binding mechanisms of the four drugs in living organisms,as well as help predict the therapeutic effects of the drugs and suggest possible ways to improve their efficacy,and provide valuable theoretical support for drug design and improvement.Chapter 1: An overview of COVID-19 infections,the nature of the drug candidates chloroquine,hydroxychloroquine,abidorl,and monupinavir,related studies,the structure and physiological functions of serum albumin and DNA,and the methods for studying the interaction of drug small molecules with biomolecules are presented.The theoretical basis,feasibility,and innovativeness of the topic are established.Chapter 2: The interaction between four COVID-19 infection drug candidates(chloroquine,hydroxychloroquine and Abidor)and ct DNA was investigated.The mechanism of interaction and the binding strength were determined with the help of fluorescence spectroscopy,viscometry and electrochemical methods.The main forces between the drug and DNA and the effects on DNA structure were obtained by calculating thermodynamic parameters and circular dichroism spectroscopy.Chapter 3: The interaction between four COVID-19 infection drug candidates(chloroquine,hydroxychloroquine and arbidol and monupinavir)and BSA was investigated.The quenching mode,binding site,dominant effect and conformational influence between the drug and BSA were obtained by fluorescence spectroscopy,UV spectroscopy and molecular simulation methods.The relationship between the group contained in the drug and the binding strength was also investigated by comparing the difference in the binding strength of the drug and BSA.Chapter 4: The interactions between the four main therapeutic candidates for COVID-19(chloroquine,hydroxychloroquine,arbidol and monupinavir)with HSA have been studied in depth.Firstly,fluorescence spectroscopy,UV spectroscopy and time-resolved fluorescence spectroscopy were used to clarify the mechanism of action,binding capacity and binding sites between drugs and HSA,and the experiments were corroborated by molecular simulation methods.Secondly,the effects of drugs on the conformation as well as the functionality of HSA were investigated by circular dichroism,infrared spectroscopy and simultaneous fluorescence spectroscopy.Finally,the relationship between the structure of chloroquine analogs and the affinity ability of HSA was explored by molecular simulation methods,and possible ways of affinity optimization were proposed.Chapter 5: Summarizes the research content of the full chapters,provides an outlook on the subsequent research work,and suggests references for the affinity binding study of new crown pneumonia infection drugs and biomolecules.