Snake Venom PLA2: Bioinformatics Approach

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Snake Venom PLA2Bioinformatics Approach
Md. Asif Khan
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Outline

• Overview
• Challenges
• Database
• Analysis
• Conclusion

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Snakes Toxins

• Why snake toxins?
• Natural library 200,000 different toxins
• Known gt 1
• Attractive candidates for
• Drugs
• Therapeutics
• Diagnostic agents

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Snake Venom PLA2

• Why snake venom PLA2?
• Dual functions
• Structurally similar but display differences in
  toxicity
• Pharmacologically versatile

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Challenges

• Exponential growth of sequences
• Toxicity test?
• Data scattered across
• multiple sources
• A need to
• Compile
• Organise
• Classify data

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Aims

• svPLA2s database
• Structure-function classification
• Analysis

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Database

• Facilitate information retrieval and data
  analysis
• svPLA2 database
• Special features?

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Data retrieval

• Keyword and sequence search
• 45 unique entries and 55 redundant
• Nov 2002
• 289 unique entries

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Pharmacological properties

• Enriched entries
• 150 svPLA2s - pharmacologically uncharacterised
• 139 - reasonably characterised
• Multiple effect

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Structure-function classification

• Correlating functional properties to structural
  information
• Putative functional sites and motifs
• Prediction modules
• Structure-function correlation investigated
• Pharmacological properties
• Disulfide bridge patterns
• Evolutionary relationship

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Classification Tree

• Structural and functional information
• Tree layers
• Orphan group
• Detailed structure-function classification

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Hydropathy Profiles

• Application of the database
• Earlier Hypothesis
• Current sample size larger

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Conclusion

• Foundation for a more detailed and more
  systematic study of structure-function
  relationship of svPLA2s
• Prediction modules
• Exponential growth of data
• Bioinformatics analyses in the study of svPLA2s

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Pharmacological properties

• Multiple effects group- 23 entries
• Different multiple effects? separate groups
• Sequence Comparison

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Disulfide patterns

• CysAlign tool
• Seven unique disulfide patterns from 140 entries
• Classification?

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Disulfide patterns
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Phylogenetic analysis

• Low bootstrap values
• Evolutionary relationship of svPLA2s
• Classification?