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DOWNLOAD NIAID SCREEN DATA

BACKGROUND

The National Cancer Institute’s Program for Natural Product Discovery (NPNPD) prefractionated natural product library is one of the largest publicly available collections of natural product samples for high throughput screening (HTS). In collaboration with the National Institute of Allergy and Infectious Diseases (NIAID), this prefractionated library has been screened against a panel of four microbial pathogens: S. aureus ATCC 29213, efflux competent E. coli BW25113 (wild-type), tolC efflux deficient E. coli JW5503-1, and C. albicans ATCC 90028. The results of the HTS are made publicly available for download below.

Screening was carried out in a 384-well plate format at a single point concentration of 10 µg/mL with ≥2 replicates per well, and results of the HTS on 326,656 NPNPD fractions is available for download. Furthermore, confirmation of single-point hits was done in eight-point dose-response at a concentration of 0.08 to 10 µg/mL with the results also available for download. Summary of the screening methodology, analysis of the results of the HTS, as well as a small proof-of-concept study that demonstrates the identification of new natural products with selective anti-bacterial and anti-fungal activities can be found in Martinez-Fructuoso et al.1 For further information, please contact the Natural Products Branch at NCINatProdRep@mail.nih.gov.

This project has been funded in whole or in part with Federal funds from the Division of Microbiology and Infectious Diseases, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services, under Contract No. 75N93019D00011 / 75N93019F00210 as well as the National Cancer Institute, National Institutes of Health, under contract HHSN261200800001E and by the National Cancer Institute’s Cancer MoonshotSM NCI Program for Natural Products Discovery – Cure (ZIA BC 011854).


  1. Martinez-Fructuoso, L; Arends, S. J. R.; Freire, V. F.; Evans, J. R.; DeVries, S.; Peyser, B. D.; Akee, R. K.; Thornburg, C. C.; Kumar, R.; Ensel, S.; Morgan, G. M.; McConachie, G. D.; Veeder, N.; Duncan, L. R.; Grkovic, T.; and O’Keefe, B. R. A screen for new antimicrobial natural products from the NCI Program for Natural Product Discovery prefractionated extract library. ACS Infectious Diseases, 2023


FILES FOR DOWNLOAD


DATA FILE SIZEDOWNLOAD SIZELINK
SINGLE-DOSE3.0 MB892 KBSINGLE-DOSE.zip
DOSE RESPONSE880 KB232 KBIC50.zip


GENERAL COMMENTS REGARDING THE DOWNLOADABLE FILES

  • Downloads are zip-archived comma-separated values (csv) files, containing results from all screened natural product extracts and fractions.


FILE COLUMN HEADERS

10 mg/mL SINGLE-DOSE INHIBITION DATA

  1. Sample ID: Sample ID for crude and prefractionated extracts. Digit following the underscore represents polarity of the prefractionation, from 1 (most polar) to 7 (least polar), or 0 for unfractionated crude extract. Initial letter represents sample type: C = marine animal, M = fractionated marine animal, F = microorganism, H = fractionated microorganism, J = marine plant, K = fractionated marine plant, N = non-marine plant, L = fractionated non-marine plant.
  2. Parent Extract: Crude extract parent identifier for each prefractionated extract. Initial letter represents sample source (as above).
  3. NIH Plate: Plate ID from NCI NPNPD
  4. Well: well identifier within each 384-well plate
  5. JMI Plate: Plate number for JMI screening
  6. albicans Replicate 1: percent inhibition values for first replicate of tests for C. albicans
  7. albicans Replicate 2: percent inhibition values for second replicate of tests for C. albicans
  8. albicans Replicate 3: percent inhibition values for third replicate of tests of some plates for C. albicans
  9. albicans Replicate 4: percent inhibition values for fourth replicate of tests of some plates for C. albicans
  10. coli (wild-type) Replicate 1: percent inhibition values for first replicate of tests for E. coli
  11. coli (wild-type) Replicate 2: percent inhibition values for second replicate of tests for E. coli
  12. coli (wild-type) Replicate 3: percent inhibition values for third replicate of tests of some plates for E. coli
  13. coli (wild-type) Replicate 4: percent inhibition values for fourth replicate of tests of some plates for E. coli
  14. coli (tolC) Replicate 1: percent inhibition values for first replicate of tests for E. coli tolC mutant
  15. coli (tolC) Replicate 2: percent inhibition values for second replicate of tests for E. coli tolC mutant
  16. coli (tolC) Replicate 3: percent inhibition values for third replicate of tests of some plates for E. coli tolC mutant
  17. coli (tolC) Replicate 4: percent inhibition values for fourth replicate of tests of some plates for E. coli tolC mutant
  18. aureus Replicate 1: percent inhibition values for first replicate of tests for S. aureus
  19. aureus Replicate 2: percent inhibition values for second replicate of tests for S. aureus
  20. aureus Replicate 3: percent inhibition values for third replicate of tests of some plates for S. aureus

 

CONCENTRATION/RESPONSE IC50 DATA

  1. Sample ID: Sample ID for crude and prefractionated extracts. Digit following the underscore represents polarity of the prefractionation, from 1 (most polar) to 7 (least polar), or 0 for unfractionated crude extract. Initial letter represents sample type: C = marine animal, M = fractionated marine animal, F = microorganism, H = fractionated microorganism, J = marine plant, K = fractionated marine plant, N = non-marine plant, L = fractionated non-marine plant.
  2. Parent Extract: Crude extract parent identifier for each prefractionated extract. Initial letter represents sample source (as above).
  3. NIH Plate: Plate ID from NCI NPNPD
  4. Well: well identifier within each 384-well plate
  5. JMI Plate: Plate number for JMI screening
  6. IC50 C. albicans Replicate 1: IC50 values for the first replicate of tests for albicans
  7. R2 C. albicans Replicate 1: R2 values for the first replicate of tests indicating a goodness-of-fit value of the nonlinear Hill plot for albicans. Missing R2 values indicate that the IC50 value is greater than or less than the indicated number.
  8. IC50 C. albicans Replicate 2: IC50 values for the second replicate of tests for albicans
  9. R2 C. albicans Replicate 2: R2 values for the second replicate of tests for albicans.
  10. IC50 C. albicans Replicate 3: IC50 values for the third replicate of tests for albicans
  11. R2 C. albicans Replicate 3: R2 values for the third replicate of tests for albicans.
  12. IC50 E. coli wild type Replicate 1: IC50 values for the first replicate of tests for coli (wild type).
  13. R2 E. coli wild type Replicate 1: R2 values for the first replicate of tests for coli (wild type).
  14. IC50 E. coli wild type Replicate 2: IC50 values for the second replicate of tests for coli (wild type).
  15. R2 E. coli wild type Replicate 2: R2 values for the second replicate of tests for coli (wild type).
  16. IC50 E. coli tolC Replicate 1: IC50 values for the first replicate of tests for coli (tolC mutant).
  17. R2 E. coli tolC Replicate 1: R2 values for the first replicate of tests for coli (tolC mutant).
  18. IC50 E. coli tolC Replicate 2: IC50 values for the second replicate of tests for coli (tolC mutant).
  19. R2 E. coli tolC Replicate 2: R2 values for the second replicate of tests for coli (tolC mutant).
  20. IC50 S. aureus Replicate 1: IC50 values for the first replicate of tests for aureus.
  21. R2 S. aureus Replicate 1: R2 values for the first replicate of tests for aureus.
  22. IC50 S. aureus Replicate 2: IC50 values for the second replicate of tests for aureus.
  23. R2 S. aureus Replicate 2: R2 values for the second replicate of tests for aureus.
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