11763 results about "Chemical compound" patented technology

Disclosed herein are compounds useful for the inhibition of KRAS G12D, G12V, G12A, G12S, G12R, G13D, Q61H, Q61L, Q61R or G12C. The compounds have a general Formula (I): (I) or pharmaceutically acceptable salts thereof, wherein the variables of Formula (I) are as defined herein. Also provided herein are pharmaceutical compositions comprising the compounds, uses of the compounds, and compositions for treatment of, for example, a KRAS G12D, G12V, G12A, G12S, G12R, G13D, Q61H, Q61L, Q61R or G12C disorder.

Compounds or their pharmaceutically acceptable salts can modulate the G12D mutant of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds disclosed herein or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

The invention relates to the field of natural products, in particular to a dimer compound of guaiane type sesquiterpenes and uric acid as well as an extraction and separation method and application of the dimer compound. According to the invention, a new dimer compound of guaiane type sesquiterpene and uric acid is extracted and separated from carpesium abrotanoides in Guizhou, and it is found that the dimer compound has relatively strong anti-tumor activity. The compound has strong inhibitory activity on breast cancer, prostate cancer, nasopharynx cancer, liver cancer, lung cancer, leukemia, pancreatic cancer, glioma, osteosarcoma, skin cancer, cervical cancer, ovarian cancer, kidney cancer and esophageal cancer, and provides an optional scheme for broad-spectrum anti-cancer drugs. Moreover, in human prostate cancer cells PC3, human cervical cancer cells Hela, human liver cancer cells HepG2 and human glioma cells U87 which are resistant to paclitaxel, the compound also shows strong anti-cancer activity, which indicates that the compound has the potential of treating patients resistant to paclitaxel.

The invention relates to the field of prevention and treatment of plant filamentous fungal diseases, in particular to an application of a compound NSC-32 (N-[(5Z)-4-oxo-5-(phenylmethylidene-1, 3-thiazolidin-3-yl) pyridin-4-carboxamide) in prevention and treatment of magnaporthe oryzae, and a preparation method of the compound NSC-32 (N-[(5Z)-4-oxo-5-(phenylmethylidene-1, 3-thiazolidin-3-yl) pyridin-4-carboxamide). MoPex19 protein is used as a target spot, a compound NSC-32 is obtained through screening, and it is proved that the compound can inhibit growth of magnaporthe oryzae and reduce pathogenicity of the magnaporthe oryzae. In addition, the application object, the use method, the target specificity and the action mechanism of the compound NSC-32 are further explored, and a new green pesticide and a new thought are provided for preventing and treating the magnaporthe oryzae.

Compounds or their pharmaceutically acceptable salts can modulate the G12D mutant of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds disclosed herein or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

Provided herein are methods and systems for diagnosing pathological conditions using machine learning and artificial intelligence models. An exemplary method can include loading an abundance matrix that represents mass spectrometry reads of a sample of a plurality of volatile organic compounds (VOCs) extracted from a biological sample. The abundance matrix can represent each of the plurality of VOCs in a mass-to-charge ratio dimension, an abundance dimension, and a retention time dimension. The method can include providing the abundance matrix to a machine-learning model. The machine- learning model can be trained on abundance matrixes of biomarkers of VOCs collected from healthy and diseased subjects. The method can include receiving, from the machine-learning model, a prediction of a state of a disease state.

The present invention provides a class of small molecule compounds for targeted degradation of a pan-KRAS protein, a preparation method therefor, and use thereof as a therapeutic agent for preventing and / or treating cancer. The compound of the present invention can effectively degrade and / or inhibit the pan-KRAS protein in cells, and can be used for preparing a drug for treating and / or preventing related diseases or disorders caused by pan-KRAS mediation.

Compounds are provided having the following structure:or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, wherein a, b, c, d, G1, G2, L1, L2, R1a, R1b, R2a, R2b, R3a, R3b, R4a, R4b, R5, R6, R7, R8 and X are as defined herein. Use of the compounds as a component of lipid nanoparticle formulations for delivery of a therapeutic agent, nanoparticles comprising the compounds and methods for their use and preparation are also provided.

Disclosed in the present invention are a KRAS G12D degradation agent as well as a preparation method therefor and the use thereof. The present invention provides compounds as shown below, and / or stereoisomers, enantiomers, diastereoisomers, atropisomers, deuterated compounds, hydrates, solvates, prodrugs and / or pharmaceutically acceptable salts thereof. The compounds provided by the present invention can effectively degrade and / or inhibit KRAS G12D protein in cells, and can be used for preparing drugs for treating and / or preventing related diseases or disorders caused by KRAS G12D mediation. G-L-E I

Disclosed are a pentapeptide compound and a composition and use thereof, relating to the technical field of polypeptides, the peptide or a salt thereof having a structure as shown in formula (I): R1-Lys-Lys-Leu-Ala-R2 (I). The invention also relates to a cyclic peptide, and the structure of the cyclic peptide is Cyclo-[Lys-Lys-Lys-Leu-Ala]. The compound disclosed by the invention has the effects of controlling oil, repairing, resisting oxidation and the like, and can be used for nursing skin or mucosa.

The invention discloses a rare-earth metal arylamine group compound as well as preparation method and application thereof. The invention discloses the rare-earth metal arylamine group compound which is characterized in that a general formula of the rare-earth metal arylamine group compound is (2,6-R12PhNH)5LnLi2(THF)2, wherein Ln is a rear-earth metal selected from one of neodymium, samarium, ytterbium or yttrium; R1 is selected from one of hydrogen, methyl or isopropyl. The rare-earth metal arylamine group compound has the advantages that the rare-earth metal arylamine group compound has a definite structure; raw materials used in the preparation method are simple, easily obtained and cheap; the reaction process is simple and easily operated; the rare-earth metal arylamine group compound product is conveniently purified and the yield of the product is high; the rare-earth metal arylamine group compound has a high activity when acting as a single component catalyst to catalyze a hydrogen phosphine reaction of aldehyde or ketone and phosphite ester; the use amount of the catalyst is less; the yield is high; a substrate has wide universality; a new and simple method is provided for synthesis of a-hydroxyphosphonate.

The invention relates to a construction method of a multi-class lipid retention time general prediction model and a prediction system. The method comprises the following steps: by taking experimental retention time tRE of a lipid compound in a training set as a dependent variable and characteristic structure parameters of the lipid compound as an independent variable, carrying out quantitative processing on the independent variable and then carrying out regression modeling analysis, the characteristic structure parameters comprise the total carbon number c and the total carbon-carbon double bond number d of a fatty acyl chain, an ether chain, an alkenyl ether chain or / and a sphingosine skeleton, the types of skeletons contained in the lipid compound and the number of corresponding skeletons, and the types of characteristic groups and residues in the lipid compound and the number of corresponding residues; carrying out numerical quantization on parameters according to the number of skeletons, characteristic groups or residues of the corresponding types; the QSRR general prediction model of the retention time of the multi-class lipid compounds is obtained by adopting regression modeling, a more accurate MRM data acquisition window can be set for the lipid compounds, and the sensitivity, stability and coverage can be improved.

The invention discloses hydrogel loaded with antibacterial polypeptide as well as a preparation method and application of the hydrogel. The preparation method of the hydrogel comprises the steps that antibacterial polypeptide and polyethylene glycol dimethacrylate are subjected to a cross-linking reaction, the hydrogel can be obtained, and the antibacterial polypeptide is obtained through polymerization synthesis of a cationic CBL monomer compound and an HBL monomer compound; the hydrogel has remarkable sterilization and anti-biofilm effects, and in-vitro cytotoxicity shows that the antibacterial polypeptide hydrogel product has no inhibition effect on normal cell growth; when the hydrogel dressing is used as a hydrogel dressing and is combined with novobiocin for use, more than 99% of antibacterial effect is achieved in a diabetes wound infection model and a fungal psoriasis infection model; and when being used as a hydrogel preparation to be combined with fluconazole, the compound has the effect of inhibiting growth of more than 99% of fungi in an animal vaginitis model.

The invention discloses a compound with anti-tumor activity. The compound has a chemical structural formula as shown in a formula (I). The compound belongs to a novel tetracyclic triterpenoid natural product, has good fat solubility and chemical stability, and can be conveniently extracted from the rhizome of a herbal medicine Polygala fallax Hemsl. And prepared into an oral or injection form. The invention also provides a preparation method and application of the compound. The compound provided by the invention can obviously inhibit the growth of mouse lung cancer and reduce the volume and weight of tumor, and can be used for treating tumor diseases.

Disclosed herein are compounds useful for the inhibition of KRAS G12D, G12V, G12A, G12S, G12R, G13D. Q61H, Q61L. Q61R or G12C. The compounds have a general Formula (I): or pharmaceutically acceptable salts thereof, wherein the variables of Formula (I) are as defined herein. Also provided herein are pharmaceutical compositions comprising the compounds, uses of the compormds, and compositions for treatment of, for example, a KRAS G12D, G12V, G12A, G12S, G12R. G13D, Q61H. Q61L, Q61R or G12C disorder.

The invention discloses staphylococcus NHY-25 capable of producing enzyme and aroma, which is preserved in Guangdong Microbial Culture Collection Center on May 26, 2025, and the preservation number is GDMMC NO: 66396. When the strain is applied to yeast strengthening, the enzyme activity in high-temperature yeast can be improved, for example, the activity of protease, saccharifying power, fermenting power and liquefying power of yeast can be improved. Through detection of volatile compounds in the strengthened Daqu and the unstrengthened Daqu, it is found that the strain enables the variety and content of the volatile compounds in the strengthened Daqu to be improved. The strain enables the sauce flavor of high-temperature yeast to be more prominent, can be applied to yeast strengthening, and provides a new thought for improving the quality of yeast.

A compound or molecular complex. The compound or molecular complex comprises: a metal chelator configured for chelation with a radioactive isotope or a non-radioactive isotope; and a trifluoroborate (BF3)-containing moiety configured for 19F / 18F exchange or a precursor thereof; and optionally a cell-targeting domain.

An apparatus and method for determining the presence of a disease by analyzing a specimen by providing a vial partially containing the specimen and partially containing a headspace above the specimen, injecting an inert gas into the specimen in the vial to cause bubbling of the gas throughout at least a portion of the specimen such that the gas mixes with volatile organic compounds (VOCs) present in the specimen to create a VOC / gas mixture that is released into the headspace, collecting the VOC / gas mixture from the headspace in the vial, supplying the VOC / gas mixture to a chamber within the apparatus, causing the VOC / gas mixture to pass over a sensor array in proximity to the chamber, the sensor array generating an electrical signal as a function of VOCs detected in the VOC / gas mixture, and processing the electrical signal to determine the presence of a disease in the specimen.

This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt thereof) that degrades Proto-oncogene VAV 1 protein (VAV1). The chemical entities are useful for treating subjects having a disorder or disease that can be treated by reducing the level of VAV1, such as cancer, inflammatory or autoimmune disorders.

Provided herein, inter alia, are ruminant feed or feed additive compositions, and methods of using these feed or feed additive compositions to reduce methane emissions in ruminants while improving animal performance, these feed or feed additive compositions comprise one or more compounds that increase hydrogen production in ruminants, such as, but not limited to, 3-nitroxypropanol (3NOP) and one or more acetogens.

The invention discloses a multi-effect repair type collagen and application thereof, and belongs to the technical field of synthetic biology. Transdermal peptide TD-1, a transmembrane region of human XVII type collagen, an extracellular sixteenth non-collagen region, an extracellular fifteenth collagen region and a coding gene of a His tag are selected to be connected in series, and a gene sequence is optimized through pichia pastoris codon selection preference; and then the T-COL17R3 is constructed and expressed to obtain the T-COL17R3. Efficacy experiments prove that compared with similar products sold in the market, T-COL17R3 not only has excellent transdermal performance, but also has better cell proliferation and migration promoting capability, better capability of resisting early saccharification product ketoamine and later saccharification product dicarbonyl compounds, better capability of scavenging free radicals and resisting elastase, and can be used for preparing the anti-epidermal drug. In addition, synthesis of melanin in B16-F10 cells can be reduced, so that T-COL17R3 has excellent application potential in development of pharmaceutical compositions or skin care products with repairing, anti-wrinkle and firming or whitening and brightening effects.

The invention relates to a bionic exosome for anti-inflammation and repair as well as a preparation method and application thereof, and belongs to the field of cosmetics. The bionic exosome provided by the invention comprises a membrane structure and an internal load phase, the membrane structure comprises a phospholipid bilayer, a stabilizer and a targeting ligand; the internal load phase comprises a solvent and an active component; the phospholipid bilayer is composed of phospholipid compounds; preferably, at least one of the distearoyl phosphatidyl ethanolamine-polyethylene glycol 2000 and the 1, 2-dioleoyl-sn-glycerol-3-phosphoethanolamine is adopted as the phospholipid compound, and at least one of the distearoyl phosphatidyl ethanolamine-polyethylene glycol 2000 and the 1, 2-dioleoyl-sn-glycerol-3-phosphoethanolamine is adopted as the phospholipid compound; at least one of cholesterol, phytosphingosine and sodium stearoyl glutamate is preferably adopted as a stabilizer, so that the stabilizer of the obtained bionic exosome is improved, and the bionic exosome has the advantages of high encapsulation efficiency, good encapsulation efficiency stability, simplicity in operation, excellent anti-inflammatory and repairing effects and the like.

The application belongs to the technical field of pesticides, and particularly relates to a pyridylalanine derivative, a composition thereof and a use thereof. The compound is shown in the general formula I: wherein X1 represents hydrogen or fluorine, X2 represents hydrogen or fluorine, X3 represents hydrogen or fluorine, X4 represents hydrogen or fluorine, and X1, X2, X3 and X4 are not hydrogen at the same time; R1 and R2 independently represent hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl or -(CO)R3; Y1 represents hydroxyl, alkoxyalkyloxy, trialkylsilyloxy or -O(CO)R3; Y2 represents hydrogen or alkyl; or Y1 and Y2 together form =O. The compound has excellent control effects on pests such as Myzus persicae, Lygus lineolaris, Rhopalosiphum maidis and Bemisia tabaci.

Antibodies and antibody fragments that bind to polyfluoroalkyl and perfluoroalkyl species (PFAS) are described for use in biosensors for detecting PFAS compounds in environmental samples. A detector comprising the biosensor and a kit for use with the detector are also described.

The invention discloses a sewage high-risk pollutant screening and identification method based on fragmentation tree pre-training, and the method comprises the steps: constructing a fragmentation tree pre-training data set according to the second-level mass spectrum data of known high-risk pollutants, so as to carry out the self-supervision pre-training of a graph neural network encoder, and obtaining a fragmentation tree editor; the method comprises the following steps: acquiring secondary mass spectrum data of suspected high-risk pollutant related compounds in a to-be-detected sewage sample, constructing a fragmentation tree set, constructing a high-risk pollutant screening model based on a fragmentation tree encoder, performing high-risk pollutant signal screening on the fragmentation tree set to obtain a high-risk candidate fragmentation tree set, and performing high-risk pollutant signal screening on the high-risk candidate fragmentation tree set. And generating a candidate molecule set of each high-risk candidate fragmentation tree, and identifying a target molecular structure and a matching score of the high-risk candidate fragmentation tree from the candidate molecule set. According to the invention, rapid screening and priority ranking of high-risk pollutants in sewage are realized, and candidate output of structure identification is further provided on the basis of screening.

To provide a novel pest control agent composition, particularly a bactericidal composition.SOLUTION: A bactericidal or bacteriostatic composition comprising an active ingredient A selected from pyrazole compounds or salts thereof represented by formula (I): [G represents G-1; G1 represents C1-C6 haloalkyl or the like; T represents an oxygen atom or the like; RX represents C1-C6 alkyl or the like; RY represents a hydrogen atom or the like; R1 represents a hydrogen atom or the like; R2 represents a hydrogen atom or the like; R3 represents a hydrogen atom or the like; Ra represents a hydrogen atom or the like; Z represents Z-1 or the like; Z1 represents C1-C6 alkyl or the like; m5 and n5 each represent an integer of 0, 1, 2, 3, 4, or 5; and p represents an integer of 0 or 1] and an active ingredient B selected from known bactericidal or bacteriostatic compounds.SELECTED DRAWING: None

Adhesive compositions including a multivalent metal salt, an multidentate acidic organic compound, and an aqueous medium are disclosed. The multivalent metal salt and multidentate acidic organic compound can include, as a mixture, a carbonate salt and / or carbonic acid. The aqueous medium can include pH adjusting agent such as sodium hydroxide. The adhesive composition, upon curing, can have a porosity of 10-50%. The adhesive composition, upon curing, can include a plurality of pores. The adhesive composition can be porous, and upon curing can have a plurality of pores having a pore size of between 20 μm to 200 μm. Methods of producing the adhesive composition are disclosed. Methods of using the adhesive composition are further disclosed.

The invention relates to the field of artificial intelligence assisted drug discovery, in particular to a protein large language model-based molecule generation and optimization method, which comprises the following steps of: acquiring amino acid sequence information and three-dimensional structure information of a target protein pocket; encoding the amino acid sequence of the protein pocket by using a protein encoder constructed based on a protein large language model to obtain a protein pocket feature vector; using a context encoder module to encode the context information according to a preset molecule generation mode (de novo generation or optimization based on a seed compound) to obtain a latent vector; and fusing the protein pocket feature vector with the latent vector. According to the method, accurate representation of the protein pocket is realized by utilizing the protein large language model, and a generation-screening-optimization iterative drug design strategy is developed by supporting a unified framework of two generation modes, so that the targeting specificity of generated molecules and the overall efficiency of drug design are improved.