Automated Author Profile

Mugumbate, Grace

European Bioinformatics Institute

Current S-Index

2.2

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

2.2

Average Dataset Index per dataset

Total Datasets

1

Total datasets for this author

Average FAIR Score

76.9%

Average FAIR Score per dataset

Total Citations

2

Total citations to the author's datasets

Total Mentions

0

Total mentions of the author's datasets

S-Index Interpretation

S-Index Over Time

Cumulative Citations Over Time

Cumulative Mentions Over Time

Datasets

Data from: Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery (Version: 1)

As a follow up to the antimycobacterial screening exercise and the release of GSK´s first Tres Cantos Antimycobacterial Set (TCAMS-TB), this paper presents the results of a second antitubercular screening effort of two hundred and fifty thousand compounds recently added to the GSK collection. The compounds were further prioritized based on not only antitubercular potency but also on physicochemical characteristics. The 50 most attractive compounds were then progressed for evaluation in three different predictive computational biology algorithms based on structural similarity or GSK historical biological assay data in order to determine their possible mechanisms of action. This effort has resulted in the identification of novel compounds and their hypothesized targets that will hopefully fuel future TB drug discovery and target validation programs alike.

Authors

  • Rebollo-Lopez, Maria Jose ;
  • Lelievre, Joel ;
  • Martínez-Jiménez, Francisco ;
  • Marti-Renom, Marc A. ;
  • Papadatos, George ;
  • Mugumbate, Grace ;
  • Overington, John P.
2 Citations0 Mentions77% FAIR2.6 Dataset Index
10.5061/dryad.8r3512016