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Biospace Libraries

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Suhaib Siddiqi
Suhaib Siddiqi
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“ Bio Space” Chemical Libraries: Perspectives on Rapidly Designing and Identifying Drug Molecules Suhaib M. Siddiqi
What is PharmaInformatics? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Orphan Receptors, Enzymes, and Proteins as Disease Targets… Validation Issues… ,[object Object]
Current Drug Discovery Trends… ,[object Object],[object Object],[object Object],[object Object]
How do we accomplish the goal of “More… Cheaper… Faster… and Better Drug Candidates”? ,[object Object],[object Object]
High Valued New Chemical Entities ,[object Object],[object Object]
Scaffolds with correct ADME… ,[object Object],[object Object]
Design of Libraries with “Drug-like” features… ,[object Object],[object Object]
[object Object],[object Object],[object Object]
Library Comparison “ Bio-Space Chemical Library” Filling “Void” with “Bio-Space” library will lead to more potential hits
Technical Advantage… ,[object Object],[object Object]
Computational Chemistry Methodologies
Rapid Dual Filtration of “Bio-Space” Chemical Libraries!
Genomics and Proteomics ,[object Object]
Integration of Data and Images ,[object Object]
Conventional SAR Approach… ,[object Object],[object Object]
Image Informatics SAR Approach—ISAR ,[object Object],[object Object],[object Object]
Image-Enhanced SAR Tables View Tissue Samples Search for features in tissues Effects of Structure on Expression Images from SciMagix
Explore commonality and differences in protein expression… ,[object Object],[object Object]
 
Library Design Strategies ,[object Object],[object Object],[object Object]
Library Design and Chemo-informatics Integration Issues ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Diversity Estimation Several applications of Diversity Estimation… ,[object Object],[object Object],[object Object],[object Object]
Disease Targets through “Bio-Space” Libraries ,[object Object],[object Object],[object Object],[object Object],[object Object]
Data Mining / HTS Screening
Summary… Leads Comp. Chem. Chem. F. Lib. HTS Opt. Drug Comp. Chem. Clinical Pre-Clinic. Biology Chem. Hits Comp. Chem. Library HTS
Conclusions Successful Drug Discovery… ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

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Biospace Libraries