We've updated our Privacy Policy to make it clearer how we use your personal data.

We use cookies to provide you with a better experience. You can read our Cookie Policy here.

Advertisement
Structure Based Drug Designing of a Novel Antiflaviviral Inhibitor for Nonstructural 3 Protein
News

Structure Based Drug Designing of a Novel Antiflaviviral Inhibitor for Nonstructural 3 Protein

Structure Based Drug Designing of a Novel Antiflaviviral Inhibitor for Nonstructural 3 Protein
News

Structure Based Drug Designing of a Novel Antiflaviviral Inhibitor for Nonstructural 3 Protein

Read time:
 

Want a FREE PDF version of This News Story?

Complete the form below and we will email you a PDF version of "Structure Based Drug Designing of a Novel Antiflaviviral Inhibitor for Nonstructural 3 Protein"

First Name*
Last Name*
Email Address*
Country*
Company Type*
Job Function*
Would you like to receive further email communication from Technology Networks?

Technology Networks Ltd. needs the contact information you provide to us to contact you about our products and services. You may unsubscribe from these communications at any time. For information on how to unsubscribe, as well as our privacy practices and commitment to protecting your privacy, check out our Privacy Policy

Abstract

Literature shows that Flaviviruses cause a variety of diseases, including fevers, encephalitis, and hemorrhagic fevers. NS3 is a multifunctional protein with an Nterminal protease domain (NS3pro) that is responsible for proteolytic processing of the viral polyprotein, and a C-terminal region that contains an RNA triphosphatase, RNA helicase and RNA-stimulated NTPase domain that are essential for RNA replication. Therefore, NS3 protein is the preferential choice for inhibition to stop the proteolytic processing. Hence, the 3D structure of NS3 protein was modeled using homology modeling by MODELLER 9v7. Evaluation of the constructed NS3 protein models were done by PROCHECK, VERYFY3D and through ProSA calculations. Ligands for the catalytic triad were designed using LIGBUILDER. The NS3 protein's catalytic triad was explored to find out the critical interactions pattern for inhibitor binding using molecular docking methodology using AUTODOCK Vina. It should be noted that these predicted data should be validated using suitable assays for further consideration.

The article is published online in the journal Bioinformation is free to access.

Advertisement