An In silico Based Comparison of Drug Interactions in Wild and Mutant Human HIV-1 RT through Docking Studies

Abstract

The aim of this research is to compare the drug interactions between wild-type and mutant forms of human HIV-1 reverse transcriptase (RT) using in silico docking studies

Materials and methods:

Extract the crystal structures of wild-type HIV-1 RT (PDB ID:

6CQJ) and K103N/Y181C mutant RT (PDB ID: 6COR) from Protein Data Bank, antiviral drugs were downloaded from Pubchem server. Docking was carried out by HEX docking server and interaction was analyzed using Docking energy.

Discussion:

The findings of this research could contribute to the development of more effective antiretroviral therapies tailored to specific mutations and aid in the design of novel drugs targeting drug-resistant HIV-1 strains. Ultimately, this research may contribute to improving the treatment outcomes and quality of life for individuals living with HIV-1 infection.

Conclusion:

From the analysis the drug of Zidovudine has shown in Wild type Structure whereas Didanosine the drug which was shown in highest interaction of Mutant type structure.