Support : Publications : Chronolog Archives : January/February 2005

Pharmaprojects Now Significantly Enhanced

Pharmaprojects (File128/PHAR), the pharmaceutical pipeline database from PJB Publications Ltd., has been significantly enhanced with drug target and Lipinski "Rule of 5" data. The following new elements have been added:

• A protein drug target field has been assigned
  
  
• Lipinski Parameters and Rotatable Bonds have been assigned to all drug profiles that have chemical structures

Searchable Protein Drug Targets Identified

PJB's expert team of biotech editors has identified over 1,300 unique protein targets for drugs in R&D since 1980, bringing you the most comprehensive and searchable collection of molecular targets contained in any one drug database. Of the 32,000+ drugs in Pharmaprojects, precise drug targets have been assigned to 43% of the database and the number is increasing daily.

With the introduction of searchable protein targets, Pharmaprojects is closing the missing link between pharmaceutical R&D and the public protein and genetic databases. The new target search functionality will allow you to identify:

• the hottest protein target projects currently in development
  
  
• target areas your competitors are working in and for what indication
  
  
• protein targets to which all drugs seem to be toxic or ineffective, thus aiding your own pipeline decisions
  
  
• promising-but-failed targets just ripe for reprofiling
  
  
• previously unseen target projects that you never knew existed

In addition, you are now able to link from the Pharmaprojects drug profiles to the National Center for Biotechnology Information's Entrez Gene profiles and its rich selection of further Web links for each specific target, including KEGG (Kyoto Encyclopedia of Genes and Genomes) data.

Addition of Lipinski Parameters and Rotatable Bonds

The newly enhanced Pharmaprojects also includes the searchable Lipinski "Rule of 5" parameters. This renowned criteria, developed by Dr. Chris Lipinski, allows you to predict the likelihood of a compound's success as an oral drug.

Calculated for all drug profiles that contain chemical structures, the addition of Lipinski and rotatable bonds data to Pharmaprojects is a significant enhancement allowing you to gauge whether compounds comply with the rules that make drugs strong oral development candidates.

The Lipinski "Rule of 5" states that a drug is more likely to be orally bioavailable if it fulfills the following criteria:

• Molecular weight is <500
  
  
• Number of hydrogen bond acceptors is <10
  
  
• Number of hydrogen bond donors is <5
  
  
• AlogP value (a predicted measure of the compound's relative solubility in octanol and water, a measure of lipophilicity) is <5

Fewer rotatable bonds also indicates that a compound is more likely to be absorbed orally.

Utilizing the Enhancements

Searching for drug targets and the Lipinksi data is simple because you are able to search by:

• Exact or partial target names
  
  
• Gene codes
  
  
• Enhanced synonyms
  
  
• LocusLink/Entrez Gene ID numbers (on Dialog DataStar a live link takes you directly to the appropriate Entrez Gene profile)
  
  
• Molecular weight
  
  
• Hydrogen bond acceptors
  
  
• Hydrogen bond donors
  
  
• ALogP (displayable on Dialog DataStar, displayable and searchable on Dialog)
  
  
• Rotatable bonds

New fields have been created on Dialog and Dialog DataStar to accommodate the new data. On Dialog, the new fields are Target Data (/TG); Molecular Weight (MW=); Number of Hydrogen Bond Donors (HD=); Number of Hydrogen Bond Acceptors (HA=); Number of Rotatable Bonds (RB=) and ALogP (AL=). On DataStar, these are Chemical information (CI) and Target data (TG). A number of quick codes help with retrieval.

Refer to the updated Bluesheet and Datasheet for further information on the Pharmaprojects enhancements. If you have any questions, please contact your account manager or your nearest Knowledge Center.

top