DOWNLOAD NIAID SCREEN DATA (2023)

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 Moonshot^SM NCI Program for Natural Products Discovery – Cure (ZIA BC 011854).

1. Martínez-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., & O’Keefe, B. R. (2023). Screen for New Antimicrobial Natural Products from the NCI Program for Natural Product Discovery Prefractionated Extract Library. ACS Infectious Diseases. https://pubs.acs.org/doi/10.1021/acsinfecdis.3c00067

FILES FOR DOWNLOAD

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 µg/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. C. albicans Replicate 1: percent inhibition values for first replicate of tests for C. albicans
7. C. albicans Replicate 2: percent inhibition values for second replicate of tests for C. albicans
8. C. albicans Replicate 3: percent inhibition values for third replicate of tests of some plates for C. albicans
9. C. albicans Replicate 4: percent inhibition values for fourth replicate of tests of some plates for C. albicans
10. E. coli (wild-type) Replicate 1: percent inhibition values for first replicate of tests for E. coli
11. E. coli (wild-type) Replicate 2: percent inhibition values for second replicate of tests for E. coli
12. E. coli (wild-type) Replicate 3: percent inhibition values for third replicate of tests of some plates for E. coli
13. E. coli (wild-type) Replicate 4: percent inhibition values for fourth replicate of tests of some plates for E. coli
14. E. coli (tolC) Replicate 1: percent inhibition values for first replicate of tests for E. coli tolC mutant
15. E. coli (tolC) Replicate 2: percent inhibition values for second replicate of tests for E. coli tolC mutant
16. E. coli (tolC) Replicate 3: percent inhibition values for third replicate of tests of some plates for E. coli tolC mutant
17. E. coli (tolC) Replicate 4: percent inhibition values for fourth replicate of tests of some plates for E. coli tolC mutant
18. S. aureus Replicate 1: percent inhibition values for first replicate of tests for S. aureus
19. S. aureus Replicate 2: percent inhibition values for second replicate of tests for S. aureus
20. S. 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 C. 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 C. 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 C. albicans
9. R2 C. albicans Replicate 2: R² values for the second replicate of tests for C. albicans.
10. IC50 C. albicans Replicate 3: IC₅₀ values for the third replicate of tests for C. albicans
11. R2 C. albicans Replicate 3: R² values for the third replicate of tests for C. albicans.
12. IC50 E. coli wild type Replicate 1: IC₅₀ values for the first replicate of tests for E. coli (wild type).
13. R2 E. coli wild type Replicate 1: R² values for the first replicate of tests for E. coli (wild type).
14. IC50 E. coli wild type Replicate 2: IC₅₀ values for the second replicate of tests for E. coli (wild type).
15. R2 E. coli wild type Replicate 2: R² values for the second replicate of tests for E. coli (wild type).
16. IC50 E. coli tolC Replicate 1: IC₅₀ values for the first replicate of tests for E. coli (tolC mutant).
17. R2 E. coli tolC Replicate 1: R² values for the first replicate of tests for E. coli (tolC mutant).
18. IC50 E. coli tolC Replicate 2: IC₅₀ values for the second replicate of tests for E. coli (tolC mutant).
19. R2 E. coli tolC Replicate 2: R² values for the second replicate of tests for E. coli (tolC mutant).
20. IC50 S. aureus Replicate 1: IC₅₀ values for the first replicate of tests for S. aureus.
21. R2 S. aureus Replicate 1: R² values for the first replicate of tests for S. aureus.
22. IC50 S. aureus Replicate 2: IC₅₀ values for the second replicate of tests for S. aureus.
23. R2 S. aureus Replicate 2: R² values for the second replicate of tests for S. aureus.