Taurochotine Drug Design as Sodium Taurocholate Co-Transporting Polypeptide (NTCP) Inhibitor for HBV Treatment, in Silico Approach

Abstract

Background: Hepatitis B Virus (HBV) is a viral infection that attacks the liver and can cause both acute and chronic disease. The virus is most commonly transmitted from mother to child during birth and delivery. Also, by contact with patient blood or other fluids during sex with an infected partner. The virus enters the cell body by sodium taurocholate cotransporting polypeptide receptor (NTCP), then it replicate and invade other healthy cells. Aim: the aim of this study is to design a drug that can block sodium taurocholate cotransporting polypeptide receptor (NTCP), Using bioinformatics tools and servers. Material and method: Using CHemSketch the drug molecule was drawn and determined and using OpenBabel software the molecule was transferred and designed into MOL 2 format to be applied in the SwissDock server. The target protein from the protein database bank using the PDB ID of NTCP receptor protein was retrieved and then inserted it into SwissDock. The result of docking was then subjected to SwissADME to check the pharmacological effect. Results: A novel drug that can inhibit and block sodium taurocholate cotransporting polypeptide receptor (NTCP) hence can treat the HBV. Conclusion: With these predicted pharmacokinetics and chemical properties of NTCP inhibitor, a new emerging drug to treat hepatitis B virus disease, which affects the majority of people around the world, especially in poor countries, can be developed, and this can be achieved with more research and laboratory procedures.