In Silico Study of Single Chain Fragment Variable (ScFv) on Chikungunya Virus Using Indonesian Strain

摘要

Objective: Because so far the paper-based commercial chikungunya tool in Indonesia has a very low sensitivity of only 20.5-50.8%, and this is supportive because of the different use of strain in the diagnostic tool so the purpose of this research is to study the selectivity of sampling from Indonesian strains. The CHIKVE1E2 model was obtained from NCBI with anti E1E2scFv based on global energy parameters in silico. Method: The selected ScFv was modified through the replacement of amino acids that play a role in interaction with scFv which is more selective towards E1E2 with lower molecular interaction energy. Docking is done using the PatchDock and FireDock programs. Visualization is done using Biovia Discovery Studio (BDS). Results and discussion: Research shows that modified scfv of y232s and y232t respectfully provides global energy values of -58.59 and -45.42 kcal / mol; VDW draws -32.79 and -29.70 kcal / mol; VDW repulsive 19.75 and 15.50 kcal / mol; ACE 1.69 and 0.65 kcal / mol and HB -5.67 and-5.79 kcal / mol. Conclusion: a method for predicting interactions between CHIKV E1E2 envelope protein and scFv needs to be further developed to get better results.