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Browsing BS by Author "AFFAN ALI"

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    Exploring the potential of FDA-approved drugs against selected proteins of zika virus (ZIKV) using in-silico approach
    (UMT Lahore, 2024-10-15) MAHNOOR; YASHA SHAKEEL; AMNA ZAHID; AFFAN ALI
    Zika virus is a mosquito-borne flavivirus. It is passed through the placenta to the baby and causes neurological diseases such as microcephaly, Guillain-Barre syndrome (GBS) and congenital Zika syndrome (CZS). It belongs to the Flaviviridae family and was first discovered in 1947 in a Ugandan macaque monkey. However, there is no approved vaccine for Zika virus. The recent study is design to find out a potential drug against ZIKV, we selected FDA approved drugs that can be used against different proteins of ZIKV which are essential in replication of virus and immune evasion. Current approaches may possibly consist of the use of conventional medications which are not suitable to be used for zika virus. New advance techniques are required to develop such therapeutic drug which could show more safety, efficacy and immunogenicity against ZIKV. For this purpose, 2413 FDA approved drugs were docked using auto dock vina against non-structural proteins NS1, NS2, NS5 and the envelope Protein (E). The FDA approved drug which shows the highest negative binding energy was further used for molecular dynamic simulation analysis for 100ns. During MD simulation, RMSF (Rot Mean Square Deviation), RMSD (Rot Mean Square Deviation), Rg (Radius of Gyration), HB (Hydrogen Bonding) were analyzed which showed that the protein-ligand complex is stable throughout the simulation run.