Characterizing Ligand Interactions in Wild-type and Mutated HIV-1 Proteases
Leyte L. Winfield, Rosalind Gregory-Bass, Jordan Campbell, and Andy WatkinsVolume 5, Issue 1 (August 2014), pp. 2–9
https://doi.org/10.22369/issn.2153-4136/5/1/1BibTeX
@article{jocse-5-1-1, author={Leyte L. Winfield and Rosalind Gregory-Bass and Jordan Campbell and Andy Watkins}, title={Characterizing Ligand Interactions in Wild-type and Mutated HIV-1 Proteases}, journal={The Journal of Computational Science Education}, year=2014, month=aug, volume=5, issue=1, pages={2--9}, doi={https://doi.org/10.22369/issn.2153-4136/5/1/1} }
A computational module has been developed in which students examine the binding interactions between indinavir and HIV-1 protease. The project is a component of the Medicinal Chemistry course offered to upper level chemistry, biochemistry, and biology majors. Students work with modeling and informatics tools utilized in drug development research while evaluating wild-type and mutated forms of the HIV-1 protease in complex with the inhibitor indinavir. By quantifying the molecular interactions within protease-inhibitor complexes, students can characterize the structural basis for reduced efficacy of indinavir.