Publications


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
Li, Y. Y., Yu, H. B., Zhang, Y., Leao, T., Glukhov, E., Pierce, M. L., Zhang, C., Kim, H., Mao, H. H., Fang, F., Cottrell, G. W., Murray, T. F., Gerwick, L., Guan, H. S., & Gerwick, W. H. (2020). Pagoamide A, a cyclic depsipeptide isolated from a cultured marine chlorophyte, Derbesia sp., using MS/MS-based molecular networking. Journal of Natural Products, 83(3), 617–625. https://doi.org/10.1021/acs.jnatprod.9b01019
Keller, L., Canuto, K. M., Liu, C. X., Suzuki, B. M., Almaliti, J., Sikandar, A., Naman, C. B., Glukhov, E., Luo, D. M., Duggan, B. M., Luesch, H., Koehnke, J., O’Donoghue, A. J., & Gerwick, W. H. (2020). Tutuilamides A-C: Vinyl-chloride-containing cyclodepsipeptides from marine cyanobacteria with potent elastase inhibitory properties. Acs Chemical Biology, 15(3), 751–757. https://doi.org/10.1021/acschembio.9b00992
Reher, R., Kim, H. W., Zhang, C., Mao, H. H., Wang, M. X., Nothias, L. F., Caraballo-Rodriguez, A. M., Glukhov, E., Teke, B., Leao, T., Alexander, K. L., Duggan, B. M., Van Everbroeck, E. L., Dorrestein, P. C., Cottrell, G. W., & Gerwick, W. H. (2020). A convolutional neural network-based approach for the rapid annotation of molecularly diverse natural products. Journal of the American Chemical Society, 142(9), 4114–4120. https://doi.org/10.1021/jacs.9b13786
Uranga, C. C., Arroyo, P., Duggan, B. M., Gerwick, W. H., & Edlunda, A. (2020). Commensal oral rothia mucilaginosa produces enterobactin, a metal-chelating siderophore. MSystems, 5(2). https://doi.org/10.1128/mSystems.00161-20
Skiba, M. A., Tran, C. L., Dan, Q. Y., Sikkema, A. P., Klaver, Z., Gerwick, W. H., Sherman, D. H., & Smith, J. L. (2020). Repurposing the GNAT fold in the initiation of polyketide biosynthesis. Structure, 28(1), 63-+. https://doi.org/10.1016/j.str.2019.11.004
Cao, L., Gurevich, A., Alexander, K. L., Naman, C. B., Leao, T., Glukhov, E., Luzzatto-Knaan, T., Vargas, F., Quinn, R., Bouslimani, A., Nothias, L. F., Singh, N. K., Sanders, J. G., Benitez, R. A. S., Thompson, L. R., Hamid, M. N., Morton, J. T., Mikheenko, A., Shlemov, A., … Mohimani, H. (2019). MetaMiner: A scalable peptidogenomics approach for discovery of ribosomal peptide natural products with blind modifications from microbial communities. Cell Systems, 9(6), 600-+. https://doi.org/10.1016/j.cels.2019.09.004
O’Donoghue, A. J., Bibo-Verdugo, B., Miyamoto, Y., Wang, S. C., Yang, J. Z., Zuill, D. E., Matsuka, S., Jiang, Z. Z., Almaliti, J., Caffrey, C. R., Gerwick, W. H., & Eckmann, L. (2019). 20S proteasome as a drug target in Trichomonas vaginalis. Antimicrobial Agents and Chemotherapy, 63(11). https://doi.org/10.1128/aac.00448-19
Bibo-Verdugo, B., Wang, S. C., Almaliti, J., Ta, A. P., Jiang, Z. Z., Wong, D. A., Lietz, C. B., Suzuki, B. M., El-Saldary, N., Hook, V., Salvesen, G. S., Gerwick, W. H., Caffrey, C. R., & O’Donoghue, A. J. (2019). The proteasome as a drug target in the metazoan pathogen, Schistosoma mansoni. Acs Infectious Diseases, 5(10), 1802–1812. https://doi.org/10.1021/acsinfecdis.9b00237
Boudreau, P. D., Miller, B. W., McCall, L. I., Almaliti, J., Reher, R., Hirata, K., Le, T., Siqueira-Neto, J. L., Hook, V., & Gerwick, W. H. (2019). Design of Gallinamide A analogs as potent inhibitors of the cysteine proteases human Cathepsin L and Trypanosoma cruzi Cruzain. Journal of Medicinal Chemistry, 62(20), 9026–9044. https://doi.org/10.1021/acs.jmedchem.9b00294
Yu, H. B., Glukhov, E., Li, Y. Y., Iwasaki, A., Gerwick, L., Dorrestein, P. C., Jiao, B. H., & Gerwick, W. H. (2019). Cytotoxic microcolin lipopeptides from the marine cyanobacterium Moorea producens. Journal of Natural Products, 82(9), 2608–2619. https://doi.org/10.1021/acs.jnatprod.9b00549
Moss, N. A., Seiler, G., Leao, T. F., Castro-Falcon, G., Gerwick, L., Hughes, C. C., & Gerwick, W. H. (2019). Nature’s combinatorial biosynthesis produces vatiamides A-F. Angewandte Chemie-International Edition, 58(27), 9027–9031. https://doi.org/10.1002/anie.201902571
Tayler, N. M., Boya, C. A., Herrera, L., Moy, J., Ng, M., Pineda, L., Almanza, A., Rosero, S., Coronado, L. M., Correa, R., Santamaria, R., Caballero, Z., Durant-Archibold, A. A., Currency, K. J. T., Balunas, M. J., Gerwick, W. H., Spadafora, A., Gutierrez, M., & SpadaforaId, C. (2019). Analysis of the antiparasitic and anticancer activity of the coconut palm (Cocos nucifera L. ARECACEAE) from the natural reserve of Punta Patino, Darien. PLOS ONE, 14(4). https://doi.org/10.1371/journal.pone.0214193
Hou, X. M., Wang, C. Y., Gerwick, W. H., & Shao, C. L. (2019). Marine natural products as potential anti-tubercular agents. European Journal of Medicinal Chemistry, 165, 273–292. https://doi.org/10.1016/j.ejmech.2019.01.026
Caro-Diaz, E. J. E., Valeriote, F. A., & Gerwick, W. H. (2019). Highly convergent total synthesis and assignment of absolute configuration of majusculamide D, a potent and selective cytotoxic metabolite from Moorea sp. Organic Letters, 21(3), 793–796. https://doi.org/10.1021/acs.orglett.8b04050
McAlpine, J. B., Chen, S. N., Kutateladze, A., MacMillan, J. B., Appendino, G., Barison, A., Beniddir, M. A., Biavatti, M. W., Bluml, S., Boufridi, A., Butler, M. S., Capon, R. J., Choi, Y. H., Coppage, D., Crews, P., Crimmins, M. T., Csete, M., Dewapriya, P., Egan, J. M., … Pauli, G. F. (2019). The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural Product Reports, 36(1), 35–107. https://doi.org/10.1039/c7np00064b
Ong, J. F. M., Goh, H. C., Lim, S. C., Pang, L. M., Chin, J. S. F., Tan, K. S., Liang, Z. X., Yang, L., Glukhov, E., Gerwick, W. H., & Tan, L. T. (2019). Integrated genomic and metabolomic approach to the discovery of potential anti-quorum sensing natural products from microbes associated with marine samples from Singapore. Marine Drugs, 17(1). https://doi.org/10.3390/md17010072
Almaliti, J., Miller, B., Pietraszkiewicz, H., Glukhov, E., Naman, C. B., Kline, T., Hanson, J., Li, X. F., Zhou, S. H., Valeriote, F. A., & Gerwick, W. H. (2019). Exploration of the carmaphycins as payloads in antibody drug conjugate anticancer agents. European Journal of Medicinal Chemistry, 161, 416–432. https://doi.org/10.1016/j.ejmech.2018.10.024
Choi, H., Engene, N., Byrum, T., Hwang, S., Oh, D. C., & Gerwick, W. H. (2019). Dragocins A-D, structurally intriguing cytotoxic metabolites from a Panamanian marine cyanobacterium. Organic Letters, 21(1), 266–270. https://doi.org/10.1021/acs.orglett.8b03712