Abstract: Systems and methods are provided that leverage the advantages of Non-Uniform Sampling (NUS) 2D NMR techniques and Deep Convolutional Neural Networks (DCNN) to create the “SMART” tool that can assist in high-throughput natural product discovery. The methodological development of SMART is accomplished in two steps: (1) the NUS heteronuclear single quantum coherence (HSQC) NMR program was adapted to a state-of-the-art nuclear magnetic resonance (NMR) instrument equipped with a cryoprobe, and the data reconstruction methods were optimized, (2) a DCNN with modified contrastive loss was trained on a database containing over 2000 HSQC spectra as the initial training set. To demonstrate the utility of SMART, several newly isolated compounds were automatically located with their known analogues in the test embedding map (TEM), thereby streamlining the discovery pipeline for new biologically active natural products.

Abstract: In particular, in alternative embodiments, the invention provides pharmaceutical compounds and formulations comprising a family of epoxyketone compounds, which include racemic mixtures or racemates, isomers, stereoisomers, diastereoisomers, derivatives and analogs, and methods for making and using them. In alternative embodiments, pharmaceutical compositions and formulations of the invention are administered to an individual in need thereof in an amount sufficient to treat, prevent, reverse and/or ameliorate an infection, disease or condition that can be ameliorated, treated, prevented or reversed by partially or completely inhibiting a chymotrypsin-like protease or a proteasome activity, including e.g.

Abstract: In particular, in alternative embodiments, the invention provides pharmaceutical compounds and formulations comprising a family of epoxyketone compounds, which include racemic mixtures or racemates, isomers, stereoisomers, diastereoisomers, derivatives and analogs, and methods for making and using them. In alternative embodiments, pharmaceutical compositions and formulations of the invention are administered to an individual in need thereof in an amount sufficient to treat, prevent, reverse and/or ameliorate an infection, disease or condition that can be ameliorated, treated, prevented or reversed by partially or completely inhibiting a chymotrypsin-like protease or a proteasome activity, including e.g.

Abstract: In alternative embodiments, the invention provides apratoxin F and apratoxin G compounds, which include apratoxin F and apratoxin G stereoisomers, derivatives and analogs compositions and methods. In alternative embodiments, the invention provides pharmaceutical compositions and formulations comprising apratoxin F (compound 6 of FIG. 1) and apratoxin G (compound 7 of FIG. 1) and their stereoisomers, derivatives and analogs. In alternative embodiments, pharmaceutical compositions and formulations of the invention are administered in an amount sufficient to treat, prevent and/or ameliorate a disease or condition that can be ameliorated by decreasing or inhibiting cell growth, e.g., pathological, uncontrolled or unwanted cell growth, e.g., a cancer or a metastases, or any disease or condition (e.g., allergy) or infection having a hyperproliferative cell growth component.

Abstract: In alternative embodiments, the invention provides apratoxin F and apratoxin G compounds, which include apratoxin F and apratoxin G stereoisomers, derivatives and analogs compositions and methods. In alternative embodiments, the invention provides pharmaceutical compositions and formulations comprising apratoxin F (compound 6 of FIG. 1) and apratoxin G (compound 7 of FIG. 1) and their stereoisomers, derivatives and analogs. In alternative embodiments, pharmaceutical compositions and formulations of the invention are administered in an amount sufficient to treat, prevent and/or ameliorate a disease or condition that can be ameliorated by decreasing or inhibiting cell growth, e.g., pathological, uncontrolled or unwanted cell growth, e.g., a cancer or a metastases, or any disease or condition (e.g., allergy) or infection having a hyperproliferative cell growth component.

Abstract: Methods of detecting bioactive compounds include exposing compounds to one or more classes of chromatophores and measuring or sensing associated changes in one or more of the chromatophores. Representative methods permit identification and quantification of neurotransmitters, toxins, hormones, and chemical warfare agents with or without prior knowledge of the content of a sample. In some examples, chromatophores based on Betta fish are used. Cytosensor apparatus using such chromatophores include means for exposing chromatophores to a sample and optical detection systems for assessing changes in chromatophore optical properties. Compounds can be identified or quantified based on a red-green-blue or hue saturation-value representations of transmitted or reflected light or based on other characterizations of transmitted or reflected light.

Abstract: Disclosed are compounds having a scytoneman skeleton, such as scytonemin, and methods of using thereof. Methods of using a compound having a scytoneman skeleton to inhibit, modulate, attenuate, or prevent cell-cycle progression, cell proliferation, kinase activity, or induce apoptosis are disclosed. Also disclosed are methods of treating, preventing, or inhibiting diseases and disorders associated with cell cycle progression, cell proliferation, kinase activity, tissue hyperplasia or angiogenesis, such as cancer or an inflammatory disease.

Abstract: Disclosed are compounds having a scytoneman skeleton, such as scytonemin, and methods of using thereof. Methods of using a compound having a scytoneman skeleton to inhibit, modulate, attenuate, or prevent cell-cycle progression, cell proliferation, kinase activity, or induce apoptosis are disclosed. Also disclosed are methods of treating, preventing, or inhibiting diseases and disorders associated with cell cycle progression, cell proliferation, kinase activity, tissue hyperplasia or angiogenesis, such as cancer or an inflammatory disease.

Abstract: Disclosed are compounds having a scytoneman skeleton, such as scytonemin, and methods of using thereof. Methods of using a compound having a scytoneman skeleton to inhibit, modulate, attenuate, or prevent cell-cycle progression, cell proliferation, kinase activity, or induce apoptosis are disclosed. Also disclosed are methods of treating, preventing, or inhibiting diseases and disorders associated with cell cycle progression, cell proliferation, kinase activity, tissue hyperplasia or angiogenesis, such as cancer or an inflammatory disease.

Abstract: Disclosed are compounds having a scytoneman skeleton, such as scytonemin, and methods of using thereof. Methods of using a compound having a scytoneman skeleton to inhibit, modulate, attenuate, or prevent cell-cycle progression, cell proliferation, kinase activity, or induce apoptosis are disclosed. Also disclosed are methods of treating, preventing, or inhibiting diseases and disorders associated with cell cycle progression, cell proliferation, kinase activity, tissue hyperplasia or angiogenesis, such as cancer or an inflammatory disease.

Abstract: Isomers of a cytotoxic compound isolated and purified from a marine cyanobacterium Lyngbya majuscula are disclosed. The compound, termed "curacin D", exhibits substantial biological activity against proliferating cells. Analogs of curacin A also are described, as are formulations that include curacin D and the curacin A analogs. The curacins A-D and analogs of curacin A exhibit antimitotic behavior.

Abstract: Indole alkaloid compounds having the formula ##STR1## where R and R' are H, an alkyl group having up to 5 carbon atoms or --CO--(CH.sub.2).sub.n --CH.sub.3 where n=0 to 16. The indole alkaloid compounds and their reduction products are useful as both UV protective and anti-inflammatory agents.

Abstract: Indole alkaloid compounds having the formula ##STR1## where R and R' are H, an alkyl group having up to 5 carbon atoms or --CO--(CH.sub.2).sub.n --CH.sub.3 where n=0 to 16. The indole alkaloid compounds and their reduction products are useful as both UV protective and anti-inflammatory agents.

Abstract: Indole alkaloid compounds having the formula ##STR1## where R and R' are H, an alkyl group having up to 5 carbon atoms or --CO--(CH.sub.2).sub.n --CH.sub.3 where n=0 to 16. The indole alkaloid compounds and their reduction products are useful as both UV protective and anti-inflammatory agents.

Abstract: Isomers of a cytotoxic compound isolated and purified from a marine cyanobacterium Lyngbya majuscula are disclosed. The isomers termed Curacin A and Curacin B exhibits substantial biological activity against proliferating cells. The Curacin A and Curacin B isomers appear to be antimitotics. Methods for using the isomers are also disclosed.

Abstract: Several new, biologically active substances have been isolated from Hormothamnion enteromorphoides, a somewhat rare cyanophyte from Puerto Rico.Hormothamnion, a lipophilic metabolite from this alga, has the styrylchromone structure: ##STR1## Hormothamnion and, to a lesser extent, one of its homologs, are potent cytotoxins to some types of cancer cells and appear to exert this cytotoxic action by a selective inhibition of RNA synthesis.A peptide compound of about 11 to 12 amino acids has antimicrobial activity, particularly against Candida albicans. The peptide, which includes phenylalanine, serine and other aliphatic amino acids, has blocked carboxyl and amino termini.

Abstract: 12-(S)-hydroxyeicosapentaenoic acid is chemically extracted from the red alga Murrayella periclados. Fresh or frozen quantities of Murrayella periclados are first macerated and combined with a 2:1 mixture of chloroform and methanol. This results in an organic fraction containing lipid isolates. After filtration to remove extraneous solids, the organic fraction is evaporated to produce a tar. The tar contains 12-(S)-HEPE which is further purified as desired.