Hammad Tufail Chaudhary, Shahida Hasnain.
In-silico analysis; analysis of S-303 binding to CD-61 of platelets.
Professional Med J Jan ;23(2):217-22.

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 does not affect this important receptor of platelet which is needed for proper function of platelets

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