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Gahl, M., Kim, H. W., Glukhov, E., Gerwick, W. H., & Cottrell, G. W. (2024). PECAN Predicts Patterns of Cancer Cell Cytostatic Activity of Natural Products Using Deep Learning. Journal of Natural Products, acs.jnatprod.3c00879. https://doi.org/10.1021/acs.jnatprod.3c00879

Zuffa, S., Schmid, R., Bauermeister, A., P. Gomes, P. W., Caraballo-Rodriguez, A. M., El Abiead, Y., Aron, A. T., Gentry, E. C., Zemlin, J., Meehan, M. J., Avalon, N. E., Cichewicz, R. H., Buzun, E., Terrazas, M. C., Hsu, C.-Y., Oles, R., Ayala, A. V., Zhao, J., Chu, H., … Dorrestein, P. C. (2024). microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data. Nature Microbiology, 9(2), 336–345. https://doi.org/10.1038/s41564-023-01575-9

Almaliti, J., Alhindy, M., Yoon, M. C., Hook, V., Molinski, T. F., O’Donoghue, A. J., & Gerwick, W. H. (2024). Orthogonal Deprotection Strategy of Fmoc Provides Improved Synthesis of Sensitive Peptides: Application to Z-Arg-Lys-AOMK. ACS Omega, acsomega.3c08629. https://doi.org/10.1021/acsomega.3c08629

Bittremieux, W., Avalon, N. E., Thomas, S. P., Kakhkhorov, S. A., Aksenov, A. A., Gomes, P. W. P., Aceves, C. M., Caraballo-Rodríguez, A. M., Gauglitz, J. M., Gerwick, W. H., Huan, T., Jarmusch, A. K., Kaddurah-Daouk, R. F., Kang, K. B., Kim, H. W., Kondić, T., Mannochio-Russo, H., Meehan, M. J., Melnik, A. V., … Dorrestein, P. C. (2023). Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics. Nature Communications, 14(1), 8488. https://doi.org/10.1038/s41467-023-44035-y

Esposito, G., Glukhov, E., Gerwick, W. H., Medio, G., Teta, R., Lega, M., & Costantino, V. (2023). Lake Avernus Has Turned Red: Bioindicator Monitoring Unveils the Secrets of “Gates of Hades.” Toxins, 15(12), 698. https://doi.org/10.3390/toxins15120698

Ternon, E., Carter, M. L., Cancelada, L., Lampe, R. H., Allen, A. E., Anderson, C. R., Prather, K. A., & Gerwick, W. H. (2023). Yessotoxin production and aerosolization during the unprecedented red tide of 2020 in southern California. Elem Sci Anth, 11(1), 00021. https://doi.org/10.1525/elementa.2023.00021

Bennett, J. M., Ward, K. E., Muir, R. K., Kabeche, S., Yoo, E., Yeo, T., Lam, G., Zhang, H., Almaliti, J., Berger, G., Faucher, F. F., Lin, G., Gerwick, W. H., Yeh, E., Fidock, D. A., & Bogyo, M. (2023). Covalent Macrocyclic Proteasome Inhibitors Mitigate Resistance in Plasmodium falciparum. ACS Infectious Diseases, 9(10), 2036–2047. https://doi.org/10.1021/acsinfecdis.3c00310

Lukowski, A. L., Hubert, F. M., Ngo, T.-E., Avalon, N. E., Gerwick, W. H., & Moore, B. S. (2023). Enzymatic Halogenation of Terminal Alkynes. Journal of the American Chemical Society, 145(34), 18716–18721. https://doi.org/10.1021/jacs.3c05750

Kim, H. W., Zhang, C., Reher, R., Wang, M., Alexander, K. L., Nothias, L.-F., Han, Y. K., Shin, H., Lee, K. Y., Lee, K. H., Kim, M. J., Dorrestein, P. C., Gerwick, W. H., & Cottrell, G. W. (2023). DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data. Journal of Cheminformatics, 15(1), 71. https://doi.org/10.1186/s13321-023-00738-4

Boyarko, B., Podvin, S., Greenberg, B., Momper, J. D., Huang, Y., Gerwick, W. H., Bang, A. G., Quinti, L., Griciuc, A., Kim, D. Y., Tanzi, R. E., Feldman, H. H., & Hook, V. (2023). Evaluation of bumetanide as a potential therapeutic agent for Alzheimer’s disease. Frontiers in Pharmacology, 14, 1190402. https://doi.org/10.3389/fphar.2023.1190402

Almaliti, J., & Gerwick, W. H. (2023). Methods in marine natural product drug discovery: what’s new? Expert Opinion on Drug Discovery, 18(7), 687–691. https://doi.org/10.1080/17460441.2023.2214360

Almaliti, J., Fajtová, P., Calla, J., LaMonte, G. M., Feng, M., Rocamora, F., Ottilie, S., Glukhov, E., Boura, E., Suhandynata, R. T., Momper, J. D., Gilson, M. K., Winzeler, E. A., Gerwick, W. H., & O’Donoghue, A. J. (2023). Development of Potent and Highly Selective Epoxyketone‐Based Plasmodium Proteasome Inhibitors. Chemistry – A European Journal, 29(20), e202203958. https://doi.org/10.1002/chem.202203958

Shrestha, S. K., Min, K. H., Kim, S. W., Kim, H., Gerwick, W. H., & Soh, Y. (2023). Kalkitoxin: A Potent Suppressor of Distant Breast Cancer Metastasis. International Journal of Molecular Sciences, 24(2), 1207. https://doi.org/10.3390/ijms24021207

Mullowney, M. W., Duncan, K. R., Elsayed, S. S., Garg, N., Van Der Hooft, J. J. J., Martin, N. I., Meijer, D., Terlouw, B. R., Biermann, F., Blin, K., Durairaj, J., Gorostiola González, M., Helfrich, E. J. N., Huber, F., Leopold-Messer, S., Rajan, K., De Rond, T., Van Santen, J. A., Sorokina, M., … Medema, M. H. (2023). Artificial intelligence for natural product drug discovery. Nature Reviews Drug Discovery, 22(11), 895–916. https://doi.org/10.1038/s41573-023-00774-7

Deni, I., Stokes, B. H., Ward, K. E., Fairhurst, K. J., Pasaje, C. F. A., Yeo, T., Akbar, S., Park, H., Muir, R., Bick, D. S., Zhan, W., Zhang, H., Liu, Y. J., Ng, C. L., Kirkman, L. A., Almaliti, J., Gould, A. E., Duffey, M., O’Donoghue, A. J., … Fidock, D. A. (2023). Mitigating the risk of antimalarial resistance via covalent dual-subunit inhibition of the Plasmodium proteasome. Cell Chemical Biology, 30(5), 470-485.e6. https://doi.org/10.1016/j.chembiol.2023.03.002

Ternon, E., Thomas, O. P., Lemée, R., & Gerwick, W. H. (2022). Rapid Biotic and Abiotic Transformation of Toxins produced by Ostreopsis. cf. ovata. Marine Drugs, 20(12), 748. https://doi.org/10.3390/md20120748

Leão, T. F., Wang, M., da Silva, R., Gurevich, A., Bauermeister, A., Gomes, P. W. P., Brejnrod, A., Glukhov, E., Aron, A. T., Louwen, J. J. R., Kim, H. W., Reher, R., Fiore, M. F., van der Hooft, J. J. J., Gerwick, L., Gerwick, W. H., Bandeira, N., & Dorrestein, P. C. (2022). NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters. PNAS Nexus, 1(5), pgac257. https://doi.org/10.1093/pnasnexus/pgac257

Reher, R., Aron, A. T., Fajtová, P., Stincone, P., Wagner, B., Pérez-Lorente, A. I., Liu, C., Shalom, I. Y. B., Bittremieux, W., Wang, M., Jeong, K., Matos-Hernandez, M. L., Alexander, K. L., Caro-Diaz, E. J., Naman, C. B., Scanlan, J. H. W., Hochban, P. M. M., Diederich, W. E., Molina-Santiago, C., … Petras, D. (2022). Native metabolomics identifies the rivulariapeptolide family of protease inhibitors. Nature Communications, 13(1), 4619. https://doi.org/10.1038/s41467-022-32016-6

Phan, V. V., Mosier, C., Yoon, M. C., Glukhov, E., Caffrey, C. R., O’Donoghue, A. J., Gerwick, W. H., & Hook, V. (2022). Discovery of pH-Selective Marine and Plant Natural Product Inhibitors of Cathepsin B Revealed by Screening at Acidic and Neutral pH Conditions. ACS Omega, 7(29), 25346–25352. https://doi.org/10.1021/acsomega.2c02287

Taton, A., Rohrer, S., Diaz, B., Reher, R., Caraballo Rodriguez, A. M., Pierce, M. L., Dorrestein, P. C., Gerwick, L., Gerwick, W. H., & Golden, J. W. (2022). Heterologous Expression in Anabaena of the Columbamide Pathway from the Cyanobacterium Moorena bouillonii and Production of New Analogs. ACS Chemical Biology, 17(7), 1910–1923. https://doi.org/10.1021/acschembio.2c00347

He, Y., Suyama, T. L., Kim, H., Glukhov, E., & Gerwick, W. H. (2022). Discovery of Novel Tyrosinase Inhibitors From Marine Cyanobacteria. Frontiers in Microbiology, 13, 912621. https://doi.org/10.3389/fmicb.2022.912621

Li, F.-L., Fu, V., Liu, G., Tang, T., Konradi, A. W., Peng, X., Kemper, E., Cravatt, B. F., Franklin, J. M., Wu, Z., Mayfield, J., Dixon, J. E., Gerwick, W. H., & Guan, K.-L. (2022). Hippo pathway regulation by phosphatidylinositol transfer protein and phosphoinositides. Nature Chemical Biology. https://doi.org/10.1038/s41589-022-01061-z

Wang, Y., Glukhov, E., He, Y. F., Liu, Y. Y., Zhou, L. J., Ma, X. X., Hu, X. Q., Hong, P. Z., Gerwick, W. H., & Zhang, Y. (2022). Secondary metabolite variation and bioactivities of two marine aspergillus strains in static co-culture investigated by molecular network analysis and multiple database mining based on LC-PDA-MS/MS. Antibiotics-Basel, 11(4), 26. https://doi.org/10.3390/antibiotics11040513

Da Silva, E. B., Sharma, V., Hernandez-Alvarez, L., Tang, A. H., Stoye, A., O’Donoghue, A. J., Gerwick, W. H., Payne, R. J., McKerrow, J. H., & Podust, L. M. (2022). Intramolecular interactions enhance the potency of gallinamide A analogues against Trypanosoma cruzi. Journal of Medicinal Chemistry, 65(5), 4255–4269. https://doi.org/10.1021/acs.jmedchem.1c02063

Mehrotra, S., Pierce, M. L., Cao, Z. Y., Jabba, S. V., Gerwick, W. H., & Murray, T. F. (2022). Antillatoxin-stimulated neurite outgrowth involves the brain-derived neurotrophic factor (BDNF)-tropomyosin related kinase B (TrkB) aignaling pathway br. Journal of Natural Products, 85(3), 562–571. https://doi.org/10.1021/acs.jnatprod.1c01001

Ashhurst, A. S., Tang, A. H., Fajtova, P., Yoon, M. C., Aggarwal, A., Bedding, M. J., Stoye, A., Beretta, L., Pwee, D., Drelich, A., Skinner, D., Li, L. F., Meek, T. D., McKerrow, J. H., Hook, V., Tseng, C. T., Larance, M., Turville, S., Gerwick, W. H., … Payne, R. J. (2022). Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L. Journal of Medicinal Chemistry, 65(4), 2956–2970. https://doi.org/10.1021/acs.jmedchem.1c01494

Yoon, M. C., Christy, M. P., Phan, V. V., Gerwick, W. H., Hook, G., O’Donoghue, A. J., & Hook, V. (2022). Molecular features of CA-074 pH-dependent inhibition of Cathepsin B. Biochemistry, 61(4), 228–238. https://doi.org/10.1021/acs.biochem.1c00684

Ottilie, S., Luth, M. R., Hellemann, E., Goldgof, G. M., Vigil, E., Kumar, P., Cheung, A. L., Song, M., Godinez-Macias, K. P., Carolino, K., Yang, J., Lopez, G., Abraham, M., Tarsio, M., LeBlanc, E., Whitesell, L., Schenken, J., Gunawan, F., Patel, R., … Winzeler, E. A. (2022). Adaptive laboratory evolution in S. cerevisiae highlights role of transcription factors in fungal xenobiotic resistance. Communications Biology, 5(1), 14. https://doi.org/10.1038/s42003-022-03076-7

Kim, G. J., Mascuch, S. J., Mevers, E., Boudreau, P. D., Gerwick, W. H., & Choi, H. (2022). Luquilloamides, cytotoxic lipopeptides from a puerto rican collection of the filamentous marine cyanobacterium Oscillatoria sp. Journal of Organic Chemistry, 13. https://doi.org/10.1021/acs.joc.1c02340

Kim, H. W., Zhang, C., Cottrell, G. W., & Gerwick, W. H. (2021). SMART-Miner: A convolutional neural network-based metabolite identification from H-1-C-13 HSQC spectra. Magnetic Resonance in Chemistry, 6. https://doi.org/10.1002/mrc.5240

Kim, H. W., Wang, M. X., Leber, C. A., Nothias, L. F., Reher, R., Kang, K. B., van der Hooft, J. J. J., Dorrestein, P. C., Gerwick, W. H., & Cottrell, G. W. (2021). NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products. Journal of Natural Products, 84(11), 2795–2807. https://doi.org/10.1021/acs.jnatprod.1c00399

Almaliti, J., Fajtova, P., O’Donoghue, A. J., AlHindy, M., & Gerwick, W. H. (2021). Improved scalable synthesis of clinical candidate KZR-616, a selective immunoproteasome inhibitor. Chemistryselect, 6(44), 12461–12465. https://doi.org/10.1002/slct.202103455

Yoon, M. C., Solania, A., Jiang, Z. Z., Christy, M. P., Podvin, S., Mosier, C., Lietz, C. B., Ito, G., Gerwick, W. H., Wolan, D. W., Hook, G., O’Donoghue, A. J., & Hook, V. (2021). Selective neutral pH Inhibitor of Cathepsin B designed based on cleavage preferences at cytosolic and lysosomal pH conditions. Acs Chemical Biology, 16(9), 1628–1643. https://doi.org/10.1021/acschembio.1c00138

Iwasaki, A., Teranuma, K., Kurisawa, N., Rahmawati, Y., Jeelani, G., Nozaki, T., Gerwick, W. H., & Suenaga, K. (2021). First total synthesis and structure-activity relationship of iheyamide A, an antitrypanosomal linear peptide isolated from a Dapis sp. Marine cyanobacterium. Journal of Natural Products, 84(9), 2587–2593. https://doi.org/10.1021/acs.jnatprod.1c00792

Demirkiran, O., Almaliti, J., Leao, T., Navarro, G., Byrum, T., Valeriote, F. A., Gerwick, L., & Gerwick, W. H. (2021). Portobelamides A and B and Caciqueamide, Cytotoxic Peptidic Natural Products from a Caldora sp. Marine Cyanobacterium. Journal of Natural Products, 84(8), 2081–2093. https://doi.org/10.1021/acs.jnatprod.0c01383

Kim, H. W., Jeon, J. B., Zhang, M., Cho, H. M., Ryu, B., Lee, B. W., Gerwick, W. H., & Oh, W. K. (2021). SIRT1 Activation Enhancing 8,3 ’-Neolignans from the Twigs of Corylopsis coreana Uyeki. Plants-Basel, 10(8), 12. https://doi.org/10.3390/plants10081684

Taylor, K. S., Zhang, C., Glukhov, E., Gerwick, W. H., & Suyama, T. L. (2021). Total synthesis of laucysteinamide A, a monomeric congener of somocystinamide A. Journal of Natural Products, 84(3), 865–870. https://doi.org/10.1021/acs.jnatprod.0c01317

Li, L., Yang, M., Shrestha, S. K., Kim, H., Gerwick, W. H., & Soh, Y. (2021). Kalkitoxin reduces osteoclast formation and resorption and protects against inflammatory bone loss. International Journal of Molecular Sciences, 22(5). https://doi.org/10.3390/ijms22052303

Leber, C. A., Reyes, A. J., Biggs, J. S., & Gerwick, W. H. (2021). Cyanobacteria-shrimp colonies in the Mariana Islands. Aquatic Ecology. https://doi.org/10.1007/s10452-021-09837-6

Christy, M. P., Uekusa, Y., Gerwick, L., & Gerwick, W. H. (2021). Natural products with potential to treat RNA virus pathogens including SARS-CoV-2. Journal of Natural Products, 84(1), 161–182. https://doi.org/10.1021/acs.jnatprod.0c00968

Leao, T., Wang, M. X., Moss, N., da Silva, R., Sanders, J., Nurk, S., Gurevich, A., Humphrey, G., Reher, R., Zhu, Q. Y., Belda-Ferre, P., Glukhov, E., Whitner, S., Alexander, K. L., Rex, R., Pevzner, P., Dorrestein, P. C., Knight, R., Bandeira, N., … Gerwick, L. (2021). A multi-omics characterization of the natural product potential of tropical filamentous marine cyanobacteria. Marine Drugs, 19(1). https://doi.org/10.3390/md19010020

Taton, A., Ecker, A., Diaz, B., Moss, N. A., Anderson, B., Reher, R., Leao, T. F., Simkovsky, R., Dorrestein, P. C., Gerwick, L., Gerwick, W. H., & Golden, J. W. (2020). Heterologous expression of cryptomaldamide in a cyanobacterial host. Acs Synthetic Biology, 9(12), 3364–3376. https://doi.org/10.1021/acssynbio.0c00431

Li, Y. Y., Naman, C. B., Alexander, K. L., Guan, H. S., & Gerwick, W. H. (2020). The chemistry, biochemistry and pharmacology of marine natural products from Leptolyngbya, a chemically endowed genus of cyanobacteria. Marine Drugs, 18(10). https://doi.org/10.3390/md18100508

Leber, C. A., Naman, C. B., Keller, L., Almaliti, J., Caro-Diaz, E. J. E., Glukhov, E., Joseph, V., Sajeevan, T. P., Reyes, A. J., Biggs, J. S., Li, T., Yuan, Y., He, S., Yan, X. J., & Gerwick, W. H. (2020). Applying a chemogeographic strategy for natural product discovery from the marine cyanobacterium Moorena bouillonii. Marine Drugs, 18(10). https://doi.org/10.3390/md18100515

Yang, J. M., Liu, Y. Y., Yang, W. C., Ma, X. X., Nie, Y. Y., Glukhov, E., Gerwick, L., Gerwick, W. H., Lei, X. L., & Zhang, Y. (2020). An anti-inflammatory isoflavone from soybean inoculated with a marine fungusAspergillus terreusC23-3. Bioscience Biotechnology and Biochemistry, 84(8), 1546–1553. https://doi.org/10.1080/09168451.2020.1764838

Wold, C. W., Gerwick, W. H., Wangensteen, H., & Inngjerdingen, K. T. (2020). Bioactive triterpenoids and water-soluble melanin from Inonotus obliquus (Chaga) with immunomodulatory activity. Journal of Functional Foods, 71. https://doi.org/10.1016/j.jff.2020.104025

Ndukwe, I. E., Wang, X., Lam, N. Y. S., Ermanis, K., Alexander, K. L., Bertin, M. J., Martin, G. E., Muir, G., Paterson, I., Britton, R., Goodman, J. M., Helfrich, E. J. N., Piel, J., Gerwick, W. H., & Williamson, R. T. (2020). Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A. Chemical Communications, 56(55), 7565–7568. https://doi.org/10.1039/d0cc03055d

Sequeira, E., Pierce, M. L., Akasheh, D., Sellers, S., Gerwick, W. H., Baden, D. G., & Murray, T. F. (2020). Epicortical Brevetoxin Treatment Promotes Neural Repair and Functional Recovery after Ischemic Stroke. Marine Drugs, 18(7). https://doi.org/10.3390/md18070374

Keller, L., Siqueira-Neto, J. L., Souza, J. M., Eribez, K., LaMonte, G. M., Smith, J. E., & Gerwick, W. H. (2020). Palstimolide A: A complex polyhydroxy macrolide with antiparasitic activity. Molecules, 25(7). https://doi.org/10.3390/molecules25071604