Search results for: darunavir

• Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state

  Publication

  • M. Padariya
  • U. Kalathiya

  - GENERAL PHYSIOLOGY AND BIOPHYSICS - Year 2016

  Human immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...

• Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme

  Publication

  • M. Padariya
  • M. Bagiński
  • M. Babak
  • U. Kalathiya

  - BIOPHYSICAL CHEMISTRY - Year 2022

  Low solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...

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