In Silico Design of Novel Anticoagulant Peptides targeting Blood Coagulation Factor VIIa

摘要: Objectives:  The coagulation cascade initiated during vascular injury prevents bleeding. Unwanted clot formation is however detrimental and requires the use of anticoagulants for prophylaxis treatment. Anticoagulants targeting a specific step or an enzyme in clotting process are most preferred as they minimise disadvantageous side-effects. A principal discovery novel encompasses silico design potential leads. This study depicts peptide factor VIIa.  Methods:  Applying proline bracket rule using various bioinformatics tools: basic alignment search tool (BLAST) National Center Biotechnology Information; T-coffee module provided by European Molecular Biology Laboratory-European Bioinformatics Institute, several modules available on ExPASy server, we designed five bivalent chimeric VIIa, VIIa inhibitors – hemextin from Hemachatus haemachatus (African Ringhals cobra) venom exosite-inhibitor templates. Six peptides were derived A, which concomitantly fused with intermediated polyalanine spacer, analysed structural stability SWISS-MODEL software developed at Swiss Institute WebLab ViewerPro (Version 4.2).  Results:  Twelve obtained; only exhibited stable structures silico.  Conclusion: obtained probable anticoagulant leads that should be further evaluated suitable vitro vivo assays. Further, this shows how simple web-based can used rational physiological molecular targets.