230 results about "Drug compound" patented technology

A method is disclosed for using an artificial intelligence engine to generate candidate drug compounds, wherein the method comprises: generating candidate drug compounds comprising sequences via a creator module of the artificial intelligence engine. The method includes generating, via a descriptor module, a respective description for each of the candidate drug compounds at nodes in a knowledge graph, wherein the knowledge graph comprises a multi-dimensional representation of the candidate drug compounds and the respective description comprises drug compound structural information, drug compound activity information, and drug compound semantic information. The method includes determining a shape of the multi-dimensional representation of the candidate drug compounds; determining, based on the shape, a slice configured to be obtained from the representation; determining, using a decoder, which dimensions are included in the slice; and based on the dimensions, determining an effectiveness of a biomedical feature of the slice.

The present invention relates to antibodies or antibody fragments that bind to human and non-human primate transferrin receptors. The antibodies described herein can be used as agents to deliver pharmaceutical compounds into or through cells during receptor-mediated endocytosis and / or transendocytosis processes. As transferrin receptors are also present in the blood brain barrier endothelial cells, one aspect of the invention provides means and methods to increase delivery of pharmaceutical compounds to the central nervous system.

An implantable device for delivery of a macromolecular drug compound is provided. The device comprises a core having an outer surface and a membrane layer positioned adjacent to the outer surface of the core. The core comprises a core polymer matrix within which is dispersed a drug compound having a molecular weight of about 5 kDa or more, the polymer matrix containing a hydrophobic polymer. The membrane polymer matrix includes from about 70 wt. % to about 99 wt. % of an ethylene vinyl acetate copolymer.

The present disclosure provides methods, pharmaceutical compositions, and kits for treating cancer in patients in need thereof. The methods comprise administering to a patient in need a STING (stimulator of interferon genes) agonist, such as Compound No. 14, or a pharmaceutically acceptable salt thereof, in combination with one or more checkpoint inhibitors. Suitable checkpoint inhibitors include anti-PD-1 antibodies, anti-PD-L1 antibodies and anti-CTLA-4 antibodies. Also provided are medicaments for use in treating cancer. Compound No. 14 has the structure:

The invention belongs to the technical field of computer biology, and relates to a lightweight drug-target interaction prediction method based on double pre-training language models. Downloading a protein information data set of required drug compounds and drug action targets from a public database; sending the protein sequence into an encoder to obtain a generated vector; the method comprises the following steps: labeling a compound sequence of a drug by using a tokenizer, pre-defining a corresponding relation between a compound sequence label and an integer, then converting into an integer value, and inputting the integer value into an encoder to generate a vector; splicing the class tokens to obtain a drug target pair, and feeding the drug target pair into an interaction head; and calculating an interaction probability between the two. According to the method, the drug pre-training language model and the protein pre-training language model are introduced at the same time, deep semantic coding is performed on the SMILES sequence and the amino acid sequence, molecular structure characteristics and protein sequence characteristics can be comprehensively captured, and the expression ability is remarkably enhanced.

The invention relates to the technical field of biological medicines, and discloses hyaluronic acid modified metal coordination albumin nanoparticles as well as a preparation method and application thereof. The hyaluronic acid modified metal coordination albumin nanoparticle comprises a core and a hyaluronic acid shell layer, wherein the core is formed by self-assembly of an albumin-drug compound, poly-L-aspartic acid and ferric ions through coordination, and the hyaluronic acid shell layer is connected to the surface of the core through coordination or adsorption. According to the hyaluronic acid modified metal coordination albumin nanoparticles as well as the preparation method and the application thereof, the preparation method is simple, convenient and rapid, does not need complex covalent modification, is mild in condition and is easy for large-scale production, and the prepared nanoparticles are uniform in particle size, good in stability and high in stability. In addition, due to the fact that the hyaluronic acid is modified on the surface, the active targeting capacity on CD44 receptor high-expression tumor cells is achieved, the enrichment and treatment effects of the medicine on the tumor site are remarkably improved, and the application prospect in preparation of the anti-tumor medicine is wide.

The invention relates to the technical field of cytobiology and biomedicine detection, and discloses a time sequence fluorescence tracing system based on a coupling detection lipid probe. Comprising an imaging detection module which is used for adding FM lipophilic styrene fluorescent dye in a culture environment, forming a membrane probe to observe the morphological change of a membrane and detect the formation of vesicles, and completing the complete time sequence tracing of the cell endocytosis process by adopting a content dyeing method; the deep learning module is used for carrying out deep learning on the obtained time sequence image, establishing a living cell imaging screening and image analysis system, and identifying protein molecules related to the target external vesicles; carrying out image description on the generation, transportation and fusion processes of the vesicles generated by the proteins in different stages before fusion of the outer vesicles and the cell membranes and after fusion and shearing; and the knock-down operation module is used for exploring the generation mode of the vesicle contents in the early endosome in combination with knockout and knock-down operations of the specific drug compound.

The present invention relates to pharmaceutical compounds of Formula (I):as further described herein, and pharmaceutical compositions containing such compounds, as well as methods of using these compounds to modulate the activity of aryl hydrocarbon receptor (AhR) and to treat conditions comprising inflammation inside the intestinal tract and certain disorders of the central nervous system affected by the gut-brain axis, including IBD, ulcerative colitis, Crohn's disease, Huntington's disease, and multiple sclerosis.

Provided herein are pharmaceutical formulations and pharmaceutical compound salts which utilize complexing agents as counterions. Such formulations and salts are useful for treating a variety of disease and disorders.

The present invention provides engineered sucrose phosphorylase (SP) enzymes, polypeptides having SP activity, and polynucleotides encoding these enzymes, as well as vectors and host cells comprising these polynucleotides and polypeptides. Methods for producing SP enzymes are also provided. The present invention further provides compositions comprising the SP enzymes and methods of using the engineered SP enzymes. The present invention finds particular use in the production of pharmaceutical compounds.

An implantable device for delivery of a macromolecular drug compound is provided. The device comprises a core having an outer surface and a membrane layer positioned adjacent to the outer surface of the core. The core comprises a core polymer matrix within which is dispersed a drug compound having a molecular weight of about 0.5 kDa or more, the polymer matrix containing a hydrophobic polymer. Further, the membrane layer comprises a plurality of water-soluble particles distributed within a membrane polymer matrix containing an ethylene vinyl acetate copolymer, wherein the water-soluble particles have a D50 particle size of about 150 micrometers or less and contain a non-polymeric, hydroxy-functional compound.

The present invention relates to pharmaceutical compounds, compositions, and methods, particularly as they relate to compositions and methods for treating and / or preventing proliferative disorders associated with TGFβR1 activity, such as cancer or fibrosis. The present invention provides compounds of Formula (I) and Formula (II) as further described herein, which have an acidic moiety that enhances tissue specificity to target tissues and organs. The present invention includes pharmaceutical compositions, pharmaceutical combinations, and methods of using these compounds to treat disorders including cancer or fibrosis.

The invention discloses a benzofuran glycoside compound as well as a separation and extraction method, a pharmaceutical composition and application thereof. The compound 1 is separated from an eupatorium chinense extract. And separating and purifying chemical components of the n-butyl alcohol part of the eupatorium chinense root to obtain the benzofuran compound. The inhibition activity of target cyclooxygenase-2 of inflammatory related diseases of all the separated compounds 1 is tested, and the compounds 1 have good inhibition activity on COX-2 enzyme and have good binding energy with target protein. In addition, the compound also has a good NLRP3-related inhibition effect, can be independently used or combined with other medicines to regulate NLRP3-related proteins, and is used for treating NLRP3-related mediated diseases and / or diseases and preparing medicines for preventing or treating the diseases or diseases. The compound 1 also has a good inhibition effect on acetylcholin esterase, and can be used for treating Alzheimer's disease, myasthenia gravis, Parkinson's disease and other diseases.

The present invention relates to pharmaceutical compounds and formulations comprising said compounds, wherein said compounds have the structure according to Formula I or II. The compounds and formulations are suitable for use as medicaments for the prevention or treatment of diseases or conditions characterized by percutaneous cell dysfunction, detachment and / or loss, for medical treatment for vascular stabilization, for treatment for promoting, restoring or maintaining attachment of percutaneous cells to blood vessels, and / or for the treatment of vascular-related diseases in patients. (I) (II)

The present invention relates to the field of microbial technology, and specifically discloses a new broad-spectrum disease-resistant Bacillus species, a fungicide compound, and applications thereof. The new broad-spectrum disease-resistant Bacillus species is Bacillus species 129-52, which was deposited on April 1, 2025, at the General Microbiology Center of the China Culture Collection Administration, located at the Institute of Microbiology, Chinese Academy of Sciences, No. 3, Yard 1, Beichen West Road, Chaoyang District, Beijing, with a deposit number of CGMCC No. 34059, and is classified as Bacillus sp.; the strain 129-52 of the present invention has a living inhibition rate of 66.82% on branches with apple rot disease. After using fungicide-drug synergistic treatment, it was found that the inhibition rate of two tested drugs, carbendazim and pyraclostrobin, on apple rot disease reached more than 80% after the dosage of the two tested drugs, carbendazim and pyraclostrobin, was reduced by half. The fungicide-drug synergistic treatment can effectively achieve the purpose of reducing the dosage, maintaining the effect, and efficiently preventing and controlling apple rot disease.

The present invention relates to pharmaceutical compounds and pharmaceutical compositions comprising said compounds, methods for preparing said compounds and uses of said compounds as SMARCA2 protein inhibitors and their use in the treatment of SMARCA4 deletion cancers, such as SMARCA4 deletion non-small cell lung cancer (NSCLC). (I)

Compounds having a 3,4,6-substituted benzocyclobuten-1-yl-methylamine structure, pharmaceutical compositions and methods employing use thereof for treating acute or chronic bipolar disorders, neuropsychiatric disorders, neurodegenerative conditions and other health conditions associated with neuronal excitability or dysregulated synaptic neurotransmission. The disclosed compounds selectively and rapidly reduce the frequency of action potentials in cortical pyramidal neurons by modulating presynaptic glutamate release while preserving GABAergic neurotransmission and single action potential properties. Selective modulation of excitatory neurotransmission achieves rapid therapeutic effects within minutes to hours after ingestion without disrupting inhibitory transmission, presenting a therapeutic approach for neurological conditions characterized by neuronal hyperexcitability and other pathological excitatory-inhibitory neurotransmission imbalance.

The disclosure describes selective and potent CDK 4 / 6 inhibitors that show advantageous inhibition of cancer growth, even at low concentrations. A class of the CDK 4 / 6 inhibitors relates to substituted pyridopyrimidines compounds having a fatty acid moiety, and are namely derivatives of Palbociclib of general formula [2A], wherein R1 is hydrogen, aryl, alkyl, alkoxy, cycloalkyl, or heterocyclyl; R2 is hydrogen, halogen, alkyl, acyl, cycloalkyl, alkoxy, alkoxy alkyl, haloalkyl, hydroxy alkyl, alkenyl, alkynyl, nitrile, or nitro; R3 is hydrogen, halogen, alkyl, haloalkyl, hydroxy alkyl, or cycloalkyl; and n is an integer from 9 to 20. These compounds may be used as pharmaceutical compounds for anti-cancer therapies, and are useful for the treatment, prevention and / or amelioration of cancer.

The present invention relates to pharmaceutical compounds of Formula (I) and pharmaceutical compositions comprising said compounds, methods for preparing said compounds and the use of said compounds as Cyclin-Dependent Kinase 7 (CDK7) inhibitors and their use in the treatment of diseases, such as cancer.

The invention relates to pharmaceutical compounds and pharmaceutical compositions comprising said compounds, to processes for the preparation of said compounds and to the use of said compounds as inhibitors of the SMARCA2 protein and to its use in the treatment of SMARCA4 deficient cancers, e.g., SMARCA4 deficient non-small cell lung cancer (NSCLC).

The invention provides a rehmannia pigment compound as shown in a formula (I), a stereoisomer thereof or pharmaceutically acceptable salt thereof, and particularly relates to the technical field of natural pharmaceutical chemistry and pharmaceutical compounds. The invention aims to solve the problems that the radix rehmanniae pigment is not clear in material basis and lacks a compound with a clear structure and excellent anti-inflammatory activity. The rehmannia pigment compound disclosed by the invention comprises a structure as shown in a formula (I). The invention also discloses a preparation method of the compound and application of the compound in medicines. The compound has a novel chemical structure and remarkable anti-inflammatory activity, release of nitric oxide can be effectively inhibited in a lipopolysaccharide induced macrophage model, the cytotoxicity is far lower than that of a positive control drug quercetin, and the compound shows huge potential as an anti-inflammatory drug lead compound.

The invention relates to the technical field of biological medicines, in particular to a bupivacaine sustained-release injection as well as a preparation method and application thereof. The invention provides a bupivacaine drug compound. The bupivacaine drug compound contains an amide local anesthetic bupivacaine as an active component and a plurality of pharmaceutically acceptable slow-release carrier materials. The drug compound disclosed by the invention adopts a supramolecular synthesis strategy and is prepared into nano-particles through a self-assembly method of a molecular recognition mechanism between Ad and Cd. The novel bupivacaine nano-particles provided by the invention solve the problem of too fast release of the bupivacaine hydrochloride, the preparation method is simple, flexible and modularized, the nano-preparation with controllable carrier size, stable surface chemical property and high drug loading capacity is prepared, the slow release time in vivo can be prolonged, and the analgesic effect can be continuously exerted.

The present invention relates to a compound of formula (I) [Formula 1] JPEG2026502845000045.jpg42170 (wherein L represents a linker, W 1 , W 2 , X 1-5 , x, m, n and R 1-4 The present invention relates to novel linker-drug compounds based on specific phosphoantigens (pAgs) having the general structure reflected in (wherein R is as defined herein). Also provided are conjugates comprising a targeting moiety, preferably a tumor-targeting antibody or antigen-binding fragment thereof, covalently attached to the linker-drug compounds of the invention. The conjugates can be used, for example, to treat diseases such as cancer, infectious diseases, and autoimmune diseases.

The application discloses a FAPI derivative containing 4-cyano thiazolidine modification and application thereof, relates to the field of drug compounds for diagnosing tumors, and provides a FAPI derivative containing 4-cyano thiazolidine modification, a chemical structural formula of which is shown as formula I. The FAPI derivative has good stability, is simple to prepare, has high radiochemical purity and good biological performance, and can be further used for clinical PET / CT tumor imaging, effectively solving the problems of low tumor uptake rate, short retention time and inability to further delay imaging of F-labeled FAPI probes. 18 The FAPI derivative containing 4-cyano thiazolidine modification can solve the problems of low tumor uptake rate, short retention time and inability to further delay imaging of F-labeled FAPI probes, and make up for the defects of the prior art.

The Cardio-Tox Tissue Engineered Model (TEEM) invention provides a robust in vitro model for cardiotoxicity evaluation using three-dimensional (3D) human heart microtissues to quantify dose-dependent changes in electromechanical activity, resulting in a comprehensive cardiotoxicity and arrhythmia risk assessment of test compounds. The invention also provides a predictive in vitro screening platform for pro-arrhythmic toxicity testing using human three-dimensional cardiac microtissues. The invention enables the screening of environmental and pharmaceutical compounds, chemicals, and toxicants to establish safe human exposure levels.

The invention relates to the technical field of microorganisms, and particularly discloses bacillus vallismortis capable of efficiently preventing and controlling root rot, a bacterium-pesticide compound and application of the bacillus vallismortis and the bacterium-pesticide compound. The bacillus vallismortis is bacillus vallismortis 81-8 and is preserved in the China General Microbiological Culture Collection Center on April 1, 2025, the address is Institute of Microbiology, Chinese Academy of Sciences, No.3, Beichen West Road, Chaoyang District, Beijing, the preservation number is CGMCC No.34056, and the bacillus vallismortis is classified and named as bacillus vallismortis; the in-vessel inhibition rates of the strains 81-8 on pepper phytophthora blight and tobacco root rot are 69.39% and 48.53% respectively, the strains 81-8 can still grow on a culture medium containing 12% of NaCl and have a remarkable growth promoting effect on pepper, and the prevention effect on tobacco root black rot reaches 99% or above after the strains 81-8 are compounded with carbendazim.

The present invention provides a process for the preparation of 1, 4-diazaspiro [5.5] undecan-3-one and analogs thereof, which can be used in the preparation of pharmaceutical compounds, including for the treatment of diseases involving abnormal cell proliferation. Chemical intermediates in the process are also provided.