IN-SILICO ANALYSIS

ANALYSIS OF S-303 BINDING TO CD-61 OF PLATELETS

Abstract

ntroduction: Different pathogen reducing technologies are being implemented
which includes S-303. CD-61 is important receptor for clotting. Pathogen reducing agents are
being studied extensively to probe its effects. Objective: We conducted this study to review
the docking of S-303 at CD-61, to look into the effect of S-303 on function of platelets. Study
Design: This was an observational study. Setting: In-silico study. Period: March 2015 to
August 2015. Method: The study was carried out in-silico. PDB (Protein data bank) code of
Tirofiban bound to CD-61 was 2vdm. CD-61 was docked with Tirofiban using online docking
tools i.e. Patchdock and Firedock. Then, S-303 and CD-61 were also docked. Best docking
poses to active sites of 2vdm were found. Interactions of ligands and CD-61 were obtained.
Then comparison of Hydrogen Bonds, Hydrogen Bond Lengths, Hydrophobic bonds of 2vdm
molecule and best poses of docking results were done. Patchdock and Firdock results of best
poses were also analyzed using SPSS-16. Results: The Hydrogen bonds and Hydrogen bond
length and hydrophobic bonds of docking results were compared to 2vdm. 2 best poses were
obtained for docking of tirofiban to CD-61. No docking to active site was observed in Patchdock
and firedock for S-303to CD-61. Conclusion: S-303 did not bind to the active site of CD-61. We
can assume that S-303 doe