PIONEERING USE OF THE CLOUD FOR DEVELOPMENT OF COLLABORATIVE DRUG DISCOVERY ( CDD ) DATABASE - Collaborative Computational Technologies for Biomedical Research - page 349

TABLE 21.2 CDD Publicly Available Malaria Data Sets
Database Name/
Source Description Molecules

U.S. Army survey Extensive collection of antimalarial drug

animal SAR data, including structures and
bioactivity, published originally by U.S. Army
in 1946

12,318

St. Jude Public
Data

Open - access malaria/trypanosome results from
Kip Guy's laboratory, including HTS of
bioactives against malaria and Trypsanoma
brucei

2,426

Malaria natural
products
(NPPDB)

Antimalarial database of fl avone natural
products, including antimalarial and
cytotoxicity data (University of Mississippi,
National Center for Natural Products
Research)

426

Malaria
PlasmoDB

PlasmoDB of malaria inhibitors compiled from
the literature, including chemical structure,
PlasmoDB gene identifi er, target gene name,
and references against Plasmodium
falciparum , P. vivax , P. berghei , P. yoelii , P.
chabaudi , P. vinckei petteri

120

Drexel public
data

Results from an ongoing open data
collaboration between Drexel (Ugi-4CC
products) and UCSF (antimalarial
screening); data set represents an example of
how researchers can choose to publish
selected results openly (By default, in
contrast, all groups are private)

195

Johns Hopkins —
Sullivan

Percent inhibition of approved drugs at 10 μ M 2,693

St Jude Childrens
Research
Hospital

Supplemental data for Nature article [82] ;
structures tested in a primary screen, with
additional data in eight protocols: Bland-
Altman analysis, calculated ADMET
properties, phylochemogenetic screen,
sensitivity, synergy, and enzyme assays as
well as a thermal melt analysis

1,524

Novartis Malaria Data from Nature paper [83] ; Plasmodium

falciparum strains 3d7 (drug susceptible) and
W2 (chloroquine, quinine, pyrimethamine,
cycloguanil, and sulfadoxine resistant),
obtained from the Malaria Research and
Reference Reagent Resource Center (MR4),
were tested in an erythrocyte-based infection
assay for susceptibility to inhibition of
proliferation by selected compounds

5,695