Jean-Claude (Drexel U.)

Philip Rosenthal (UCSF)

Antony Williams (ChemSpider)

UsefulChem: Open Notebook Science and Collaborative Drug Discovery

Khalid Mirza (Drexel U.)

Jiri Gut (UCSF)

Rajarshi Guha (Indiana U.)

BLOGWIKI

Mailing ListGoogleDocs

Architecture: Distributed, Interlinked and Redundant

ChemSpider

CDD

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s JoVE

• Topic: Malaria• Connections

Phil Rosenthal, UCSFMalaria biology, screening

Bradley Laboratory, DrexelSynthetic Chemistry

Malaria data, global

Rajarshi Guha, Indiana UniversityDocking to pre-filter Ugi Library

Bradley-Guha-Rosenthal-CDD Malaria Computational-Experimental Collaboration

Goal: Accelerate drug discovery for malaria

Bunin, Ekins etc Community Facilitators

WhereWhere’’s the Beef?s the Beef?

Link to Lab Notebook Page in WikiLink to Lab Notebook Page in Wiki

Link to Docking Results: Link to Docking Results: Lists of SMILES in GoogleDocs Lists of SMILES in GoogleDocs

(Rajarshi Guha)(Rajarshi Guha)

Using ChemSpider to archive Using ChemSpider to archive compound characterizationcompound characterization

Drexel-UCSF Malaria Data Set within the Context ofOther CDD Community Neglected Disease Data Sets

Ugi-4CC Product tested in P. Falciparum Cell Assay in Collaborative Drug Discovery (CDD) Database

Useful Chemistry Ugi Compound in CDD (public login: usefulchemistry, Password: cddcdd)

Open Access Data Easily Exported from CDD Database

Outcome of GuhaOutcome of Guha--BradleyBradley--Rosenthal Rosenthal collborationcollboration