Amit Mohan and Neetu Kirti
Dengue is a standout amongst the most vital mosquito-borne viral infections on the planet, and is endemic in roughly 120 nations. Dengue fever is showed as a weakening infection in more seasoned youngsters, youths, and grown-ups. In this work, we screened Quinacrine derivatives from PubChem compound database and docked with NS5-methyltransferase of dengue virus. Among docked compounds, we got two best-predicted compound CID 217476 and CID 71471828 having binding affinity -7.34 kcal/mol and -7.76 kcal/mol with NS5-methyltransferase. This predicted compound was evaluated by preADMET tool for ADME-toxicity properties. Predicted compounds had good result in oral administration. HIA value of compounds belongs in the range of well-absorbed compounds. PCaCO2 value of compounds belongs in standard range. Skin permeability of compound had negative value and strongly binds to plasma proteins. The Ames test result predicted that compound was mutagenic and carcinogenicity showed that compound had positive value in mouse and negative value in rat.
Keywords: Quinacrine derivatives; NS5-methyltransferase; Dengue virus; ADME/Tox.