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The Center for High Content Functional Annotation of Natural Products
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  • Project 1 – Biological Annotation of Natural Products
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Two exciting publications published in the Journal of Natural Products by the HiFAN team on April 12th, 2023!

April 17, 2023 jomacmilUncategorized

A shout out to HiFAN members Joelle Houriet, Warren Vidar, Preston Manwill, Daniel Todd and Nadja Cech for their publication in Analytical Chemistry.

December 16, 2022 jomacmilUncategorized

Aswad Khadilkar presented “Assigning Mechanism of Action To Natural Products Using Gene Expression Platform Established By The HIFAN Program” at the American Society of Pharmacognosy annual meeting in Charleston, South Carolina

August 8, 2022 jomacmilUncategorized

Congratulations to the Linington lab for publication of NP Analyst, an incredible tool to look at chemical/biological associations in natural products

August 8, 2022 jomacmilUncategorized

News and Updates

  • Two exciting publications published in the Journal of Natural Products by the HiFAN team on April 12th, 2023!
  • A shout out to HiFAN members Joelle Houriet, Warren Vidar, Preston Manwill, Daniel Todd and Nadja Cech for their publication in Analytical Chemistry.
  • Aswad Khadilkar presented “Assigning Mechanism of Action To Natural Products Using Gene Expression Platform Established By The HIFAN Program” at the American Society of Pharmacognosy annual meeting in Charleston, South Carolina

Tools Developed by HiFAN

One of the goals of the HiFAN team is to build on-line resources to be used by the community for biological screening, metabolomics and compound/activity associations.

SNAP-MS: A tool to predict the identities of compound clusters based on mass spectrometry features.

NP Analyst: NP Analyst is a platform-independent tool for integrating bio-activity data with metabolomics data.

FUSION Database: The FUSION database includes gene expression signatures for >14,000 chemical and genetic perturbations, bioinformatic tools for data analysis, and MOA predictions.

NP Atlas: A repository of >20,000 microbial natural products. This database can be used to ask a variety of questions around microbial natural products, as highlighted in ACS Central Science.

Recent Publications

Khadalkar, A.; Bunch, Z. L.; Wagoner, J.; Ravindran, V.; Oda, J. M.; Vidar, W. S.; Clark, T. N.; Maxwell, P. K.; Todd, D. A.; Barr, S. A.; Olinger, L. K.; Fink, S. L. Strangman, W. K.; Linington, R. G.; MacMillan, J. B.; Cech, N. B.; Polyak, S. J. Modulation of in Vitro SARS-CoV-2 Infection by Stephania tetrandra and Its Alkaloid Constituents, J. Nat. Prod, 2023, doi.org/10.1021/acs.jnatprod.3c00159

Vidar, W. S.; Baumeister, T. U. H.; Caesar, L. K.; Todd, D. A.; Linington, R. G.; Kvalheim, O. M.; Cech, N. B. Interaction Metabolomics to Discover Synergists in Natural Product Mixtures, J. Nat. Prod, 2023, doi.org/10.1021/acs.jnatprod.2c00518

Morehouse, N. J.; Clark, T. N.; McMann, E. J.; van Santen, J. A.; Haeckl, F. P. J.; Gray, C. A.; Linington, R. G. Annotation of natural product compound families using molecular networking topology and structural similarity fingerprinting, Nature Communications, 2023, article #38. https://doi.org/10.1038/s41467-022-35734-z

Houriet, J.; Vidar, W. S.; Manwill, P. K.; Todd, D. A.; Cech, N. B. How Low Can You Go? Selecting Intensity Thresholds for Untargeted Metabolomics Data Preprocessing, Analytical Chemistry, 2022. doi.org/10.1021/acs.analchem.2c04088

Hight, S.; Clark. T.; Kurita, K.L.; McMillan, E.A.; Bray, W.; Shaikh, A.F.; Khadilkar, A.; Haeckl, F.P.J.; Carnavale-Neto, F.; La, S.; Lohith, A.; Vaden, R. M.; Lee, J.; Wei, S.; Lokey, R.S.; White, M.A.; Linington, R.G.; MacMillan, J.B. High-Throughput Functional Annotation of Natural Products by Integrated Activity Profiling, PNAS, 2022; 119(49): e2208458119. doi.org/10.1073/pnas.2208458119

Lee, S.; van Santer, J. A.; Farzaneh, N.; Liu, D. Y.; Pye, C. R.; Baumeister, T. U. H.; Wong, W. R.; Linington, R. G. NP Analyst: An Open Online Platform for Compound Activity Mapping. ACS Cent. Sci. 2022;8(2):223-234. doi.org/10.1021/acscentsci.1c01108

Neto, C. F.; Clark, T. N.; Lopes, N. P.; Linington, R. G. Evaluation of Ion Mobility Spectrometry for Improving Constitutional Assignment in Natural Product Mixtures. J. Nat. Prod. 2022;85(3):519-529. doi.org/10.1021/acs.jnatprod.1c01048

Clark, T. N.; Houriet, J.; Vidar, W. S.; Kellogg, J. J.; Todd, D. A.; Cech, N. B.*; Linington, R. G.* Interlaboratory Comparison of Untargeted Mass Spectrometry Data Uncovers Underlying Causes for Variability . J. Nat. Prod. 2021;84(3):824-835. doi: 10.1021/acs.jnatprod.0c01376.

McMillan EA, Kwon G, Clemenceau JR, et al. A Genome-wide Functional Signature Ontology Map and Applications to Natural Product Mechanism of Action Discovery. Cell Chem Biol. 2019;26(10):1380‐1392.e6. doi:10.1016/j.chembiol.2019.07.008

van Santen JA, Jacob G, Singh AL, et al. The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery. ACS Cent Sci. 2019;5(11):1824‐1833. doi:10.1021/acscentsci.9b00806

Wallace ED, Todd DA, Harnly JM, Cech NB, Kellogg JJ. Identification of adulteration in botanical samples with untargeted metabolomics. Anal Bioanal Chem. 2020;10.1007/s00216-020-02678-6. doi:10.1007/s00216-020-02678-6

Sorkin BC, Kuszak AJ, Bloss G, et al. Improving natural product research translation: From source to clinical trial. FASEB J. 2020;34(1):41‐65. doi:10.1096/fj.201902143R

Kellogg JJ, Kvalheim OM, Cech NB. Composite score analysis for unsupervised comparison and network visualization of metabolomics data. Anal Chim Acta. 2020;1095:38‐47. doi:10.1016/j.aca.2019.10.029

Caesar LK, Nogo S, Naphen CN, Cech NB. Simplify: A Mass Spectrometry Metabolomics Approach to Identify Additives and Synergists from Complex Mixtures. Anal Chem. 2019;91(17):11297‐11305. doi:10.1021/acs.analchem.9b02377

Ueoka R, Bhushan A, Probst SI, et al. Genome-Based Identification of a Plant-Associated Marine Bacterium as a Rich Natural Product Source. Angew Chem Int Ed Engl. 2018;57(44):14519‐14523. doi:10.1002/anie.201805673

Das B, Neilsen BK, Fisher KW, et al. A Functional Signature Ontology (FUSION) screen detects an AMPK inhibitor with selective toxicity toward human colon tumor cells. Sci Rep. 2018;8(1):3770. Published 2018 Feb 28. doi:10.1038/s41598-018-22090-6

McAlpine JB, Chen SN, Kutateladze A, et al. The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research . Nat Prod Rep. 2019;36(1):35‐107. doi:10.1039/c7np00064b

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The HiFAN program is supported by grant U41 AT008718 from the National Center for Complimentary and Integrative Health (NCCIH) and the Office of Dietary Supplements (ODS)