837 results about "New medications" patented technology

The invention discloses a drug target activation and inhibition relation prediction method based on a depth map neural network, and aims to improve the modeling precision and prediction performance of an activation or inhibition action mechanism between a drug and a target. According to the method, on the basis of a fine-grained graph interaction modeling mechanism, multi-scale structural characteristics of drug molecules and three-dimensional space structural information of protein residue levels are fused, and a heterogeneous interaction graph between drugs and proteins is constructed. The method comprises the following steps: firstly, acquiring a drug-target sample with an activation / inhibition tag through a public database, predicting a protein structure by utilizing AlphaFold2, and constructing a protein residue map and a drug molecular map; multi-scale structure semantic representation is obtained through sub-graph decomposition, atomic-scale feature extraction and graph neural network coding of drug graph features; protein graph node features are combined with context embedding generated by a pre-training language model, DSSP coding, secondary structure spectrum and atomic structure features are constructed, and edge features are designed based on the geometrical relationship between residues. Then, based on constraints such as spatial distance and biochemical similarity, a fine-grained mapping relation between drug atoms and protein residues is established, an interaction graph is constructed, and coding is carried out through a GraphSAGE network; and finally, fusing the interacted multi-source embedding, and completing the prediction of the activation / suppression relationship through a multi-layer perceptron. A cross entropy loss function, an Adam optimizer and hyper-parameter grid search are adopted in model training; in the evaluation stage, five-fold cross validation and an independent test set are adopted, and indexes such as the accuracy rate, the recall rate, the F1 score, the specificity and the Morse correlation coefficient are used for comprehensively evaluating the performance of the model. Experimental results show that compared with an existing method, the method has the advantages that the prediction accuracy and mechanism interpretability are remarkably improved, and the method has good generalization ability and application prospects and is suitable for multiple fields of drug action mechanism research, new drug discovery and the like.

The invention provides a drug target affinity prediction algorithm based on protein three-mode and multi-feature fusion, and the algorithm makes full use of sequence information and two-dimensional and three-dimensional structural features of drugs and proteins, and realizes deep integration of data. The technical innovation point lies in that a multi-modal data fusion mechanism and an advanced graph neural network technology are introduced, and the sensitivity and recognition capability of the model to key biomarkers are enhanced through a dynamic attention mechanism. According to the technical advantage, the method has higher accuracy and stability when processing complex biological data, and compared with the prior art, the generalization ability and the interpretability are remarkably improved. In the aspect of technical maturity, the algorithm has passed multiple rounds of verification and shows good prediction performance and adaptability. The method is simple in operation and wide in market application prospect, can assist in new drug discovery and accelerate the drug design process, can also promote the development of the precision medical field, and particularly has important value in targeted therapy and disease prevention strategy formulation.

The invention relates to the technical field related to artificial intelligence, in particular to an intelligent medical diagnosis engine based on an AI large model, which comprises an auxiliary diagnosis module for collecting data such as an electronic medical record and a medical image of a patient and predicting an auxiliary result by using an integrated learning method; the drug recommendation module is used for analyzing drug recommendation data by using an AI large model and predicting potential curative effects and side effects of new drugs; and the operation simulation module is used for constructing an operation environment and a human body model in combination with a virtual reality technology. A large amount of medical data can be quickly processed and analyzed through auxiliary diagnosis, the diagnosis time is shortened, gene, physiological and pathological multi-omics data of a patient can be integrated by reducing unnecessary invasive examination and misdiagnosis and drug recommendation, a personalized drug treatment scheme is provided for the patient, and the patient experience is improved. Comprehensive and accurate diagnosis basis and treatment suggestions are provided for doctors; by accurately simulating a real operation scene including mechanical and optical characteristics, a more real training experience is provided for doctors and medical students.

The invention discloses a traditional Chinese medicine multi-target interaction prediction method based on a Transform architecture. The method comprises the following steps: creating an interaction label of a medicine and a target; respectively carrying out feature extraction on the traditional Chinese medicine component data and the target protein data; fusing the traditional Chinese medicine component feature vector and the target feature vector through a cross attention mechanism; creating a data set by using the feature vector F and an interaction label of the drug and the target; the method comprises the following steps of: constructing and training a Transform encoder; inputting a to-be-detected medicine-target data set into the trained Transformer encoder, outputting a probability value of interaction between each target and the traditional Chinese medicine component, and when the probability value of interaction between the traditional Chinese medicine component and the target is greater than a preset threshold value, determining that interaction exists; the invention provides an efficient and accurate traditional Chinese medicine multi-target interaction prediction means, and is beneficial to acceleration of traditional Chinese medicine research and new medicine development processes.

The invention relates to the technical field of biological medicines, in particular to a sulfonamide compound for treatment and an enantiomer thereof as well as a preparation method and application thereof, and has the beneficial effects that the provided sulfonamide compound and the enantiomer thereof have the characteristics of strong stability, longer action effect, better drug effect and the like; the compound is a better diuretic and new anti-encephaledema medicine.

To reduce the work burden on medical workers in creating medical documents.SOLUTION: An information processing system for supporting creation of medical documents includes a data acquisition unit and a medical document generation unit. The data acquisition unit is configured to obtain conversation data and medical data. The conversation data includes the content of a conversation between a medical worker and a patient. The medical data includes medicine data. The medicine data includes new medicine data and old medicine data. The new medicine data corresponds to the conversation of the conversation data. The old medicine data is data older than the new medicine data. The medical document generation unit is configured to generate the medical document based on the conversation data and the medicine data.SELECTED DRAWING: Figure 1

The invention relates to an application of a JAK inhibitor in preparation of a medicine for treating chronic kidney diseases, in particular to a compound 2-{N-[4-(4-methyl) piperazine] phenyl} amino-5, 6-dihydro-7-[3-(N-tert-butyl) sulfonamido] phenyl-pyrrolo [2, 3-d] pyrimidine or pharmaceutically acceptable salt thereof, and a preparation method of the compound 2-{N-[4-(4-methyl) piperazine] phenyl} amino-5, 6-dihydro-7-[3-(N-tertiary butyl) sulfonamido] phenyl-pyrrolo [2, 3-d] pyrimidine. The invention also relates to application of a pharmaceutical composition containing the compound in preparation of medicines for treating chronic kidney diseases. The compound has good treatment activity on chronic kidney diseases caused by various reasons, can remarkably reduce the inflammatory factor level of kidney tissue, further reduces kidney injury and fibrosis lesion degree, is high in safety, is expected to become a new medicine for treating the chronic kidney diseases, and has wide clinical application prospects.

The invention discloses a computer-aided drug screening method, system and equipment based on TRIM56 and STING, and discovers the interaction relationship that TRIM56 promotes adenovirus replication and transcription by promoting E1A to degrade STING for the first time. The invention provides a computer-aided drug screening method, system and equipment based on TRIM56 and STING and a computer readable storage medium for the field, provides an efficient, accurate and rapid screening method for research and development of new anti-adenovirus drugs, and has a very wide application prospect in the aspect of screening of the new anti-adenovirus drugs.

The invention discloses a construction method and application of a mouse airway organoid inflammation model, and relates to the technical field of biology. The construction method comprises the following steps: (1) taking a mouse airway tissue, digesting with digestive juice, and centrifuging to obtain a cell suspension; (2) centrifuging the cell suspension, discarding the supernatant, adding matrigel, uniformly mixing, incubating, and culturing by using an airway organoid complete medium; (3) adding a cell recovery solution into the cells cultured in the step (2), incubating, degumming, centrifuging, discarding supernatant, adding matrigel, uniformly mixing, incubating, and adding an airway organ complete culture medium for continuous culture; and (4) adding 1-20 [mu] g / ml of LPS into the airway organoid complete culture medium, and incubating. The AO constructed by the invention covers four main cell types of cilia cells, goblet cells, basal cells and rod-like cells, causes epithelial injury in the AO and expression of AO inflammatory factors, and can provide reference for development of CRD new drugs.

The invention discloses an enantiokaurane compound with antitumor activity as well as a preparation method and application of the enantiokaurane compound. According to the present invention, chemical components of Western African plant I.trichantha tubers are deeply studied, and a variety of chromatographic separation methods such as macroporous resin, silica gel resin, medium pressure preparation-MCI column, gel normal pressure column and semi-preparative high performance liquid chromatography are combined to separate to obtain one enantiokaurane new compound Trichanthone B; experiments show that the compound obtained through separation has a good inhibition effect on an MIA PaCa-2 pancreatic cancer cell line and an A549 lung cancer cell line, and IC50 of the compound on the MIA PaCa-2 pancreatic cancer cell line reaches a nanomole level; the effect of the compound is stronger than that of positive drugs 5-fluorouracil and carboplatin, and the compound has the potential of being developed into new drugs for resisting pancreatic cancer and lung cancer.

The present application belongs to the field of medicines, and particularly relates to a pharmaceutical cocrystal of finerenone and maleic acid, and a preparation method therefor. The pharmaceutical cocrystal of finerenone and maleic acid prepared in the present application has the advantages of high purity, suitable solubility, good stability, etc. and is suitable for new drug development and industrial production. The method for preparing the pharmaceutical cocrystal of finerenone and maleic acid provided in the present application has the advantages of simple process route and low cost, and is suitable for industrial production.

The invention relates to the technical field of biology, in particular to glycopeptide antibiotic and application thereof. According to the invention, a biosynthetic gene cluster for synthesizing a brand new glycopeptide antibiotic skeleton is excavated, and brand new glycopeptide antibiotics Varsomycin A, B and C with novel chemical structures are obtained through heterologous expression; the traditional Chinese medicine composition has a remarkable antibacterial effect on clinically drug-resistant strains. Important fermentation strains and precursor compound molecules are provided for research and development of new drugs of glycopeptide antibiotics, and important application prospects and economic values are achieved.

The invention relates to a nano antibody Nb3-18 capable of identifying and neutralizing SFTSV (swine fever with thrombocytopenia syndrome), which comprises three complementary determining regions CDR1-3, and the sequences of the three complementary determining regions CDR1-3 are respectively shown as SEQ ID NO: 1-3. Nanometer antibody drug development and diagnostic kit research and development are carried out on SFTSV which is high in fatality rate but lacks effective vaccines and specific antiviral drugs, the nanometer antibody VHH which is specifically combined with GN is screened through the platform technology of preparing GN protein, inactivating viruses, immunizing alpaca, displaying nanometer monoclonal antibodies through a phage library and the like, the CDR sequence of the nanometer antibody VHH is identified, and the SFTSV with the high fatality rate is obtained. A humanized antibody Nb3-18 is constructed; meanwhile, the curative effect of Nb3-18 in treating SFTSV infection is evaluated at the in-vitro cell level. The invention provides a potential nano antibody new drug for clinical treatment of SFTSV, and also provides a corresponding detection kit for diagnosis of SFTSV.

The invention discloses a Chinese herbal medicine knowledge graph construction method and system, and the method comprises the steps: collecting structured data and unstructured data, and generating a drug property and pharmacology data table; extracting property and flavor channel tropism attributes of the medicinal materials, generating a medicinal property triple and a pharmacological triple, and establishing preliminary cross-domain association; defining logical constraints and compatibility rules of nature and flavor channel tropism, and constructing a causal reasoning chain; performing spatial semantic mapping on the channel tropism attributes and the pharmacological entities to generate a dynamic cross-layer mapping relationship; using an attribute graph database to store node types and edge types, and constructing a hybrid index; new data streams are collected in real time, the atlas is updated, and an intelligent decision-making interface and a visual interaction platform are provided. Through multi-source fusion, dynamic association, efficient storage and closed-loop optimization, the problems of semantic segmentation, update lag and low retrieval efficiency in traditional Chinese medicine digitization are solved, and scientific and real-time technical support is provided for traditional Chinese medicine modernization research, accurate medication and new medicine research and development.

The invention relates to the technical field of extraction and separation of compounds in traditional Chinese medicinal materials, in particular to a method for simultaneously separating and purifying three pentacyclic triterpenoids from a tripterygium hypoglaucum root medicinal material. Three pentacyclic triterpenoid monomers are obtained through the steps of smashing, reflux extraction, normal-phase silica gel chromatography, reversed-phase high-pressure column chromatography, recrystallization and the like, the method is high in extraction efficiency and small in reagent dosage, the three pentacyclic triterpenoid compounds can be obtained at the same time, and the obtained compounds are high in purity and yield, have high social and economic value and are suitable for industrial production. The purity of the obtained plasmin, tripterine and demethylzeylasteral is high, and a foundation is laid for the preparation and production of reference substances of triterpenoid components in the roots of pyracantha fortunei, the subsequent pharmacological activity and the development of new immune drugs.

The invention discloses an alpha nuclide drug in-vitro cellular response prediction method and system based on multi-module mathematical modeling and a medium, and the method comprises the steps: constructing a basic parameter input module, a pharmacokinetic prediction module, a cell absorbed dose calculation module and a biological effect prediction module which are connected in sequence; a three-compartment dynamical model and a micro-dose learning point kernel convolution and DNA damage repair dynamical model are integrated, and full-chain and quantitative simulation from drug distribution, microscopic energy deposition to cell survival is achieved. The method overcomes the defects that an existing empirical model cannot accurately reflect the high LET characteristic of alpha particles, neglects the bystander effect and repair dynamics and the like, and the prediction precision is remarkably improved. According to the method, the curative effects of different drugs, cell lines and dosage schemes can be quickly simulated on a computer, the research and development cost and period are greatly reduced, and an efficient theoretical tool is provided for new drug screening and dosage optimization.

The invention discloses a computer-aided drug screening method, system or device based on FBXO2 and PKM2. The invention provides a brand-new method, system or equipment for screening oral squamous cell carcinoma treatment drugs based on FBXO2 and PKM2, provides a tool for new drug development and clinical application for treatment of oral squamous cell carcinoma, and has a wide application prospect.

The invention discloses a novel application of emodin as an endonuclease inhibitor. The emodin inhibits replication and transmission of viruses by inhibiting the activity of NSP15 ribonuclease, and recovers host interferon reaction so as to enhance the antiviral effect. The application has the advantages that the action target of the emodin is defined, the effectiveness of the emodin in the aspect of preventing and treating coronavirus infection is further revealed, and the broad-spectrum antiviral potential of the emodin is embodied through the link of playing the antiviral effect by inhibiting the virus replication link; the researches provide candidate drugs and scientific basis for research and development of novel broad-spectrum anti-coronavirus drugs, and promote clinical application of the anti-virus traditional Chinese medicines.

The invention discloses a mouse model for treating in-situ pulmonary nodules by using bacterial lysates as well as a construction method and application of the mouse model. The method comprises the following steps: constructing an in-situ pulmonary nodule KT mouse model, instilling adenovirus, randomly dividing the model into an in-situ pulmonary nodule control group and a treatment group, performing bacterial lysate administration on mice in the treatment group at the maximum treatment dosage of 35mg / kg / d, and administering the same dosage of PBS solution to the control group. According to the invention, the possibility of killing cancer cells and preventing precancerous lesion progression by promoting autoimmunity of mice through oral immunostimulation drugs is provided for the first time, namely, the curative effect and mechanism of new drugs are researched through a mouse model, so that the clinical indications of the drugs are widened, and the blank field of clinical pulmonary nodule drug treatment is supplemented.

The invention relates to a specific chemiluminescent probe for determining CYP3A in the technical field of medicines, which is structurally characterized by being shown in the following formula: # imgabs0 #. The probe structurally comprises a high-specificity reaction response group of CYP3A, a chemiluminescent group, a self-hyperchromic group and a self-leaving linking group connected with the high-specificity reaction response group, the chemiluminescent group and the self-hyperchromic group, the chemiluminescent probe does not need to be excited by an external light source, is free of phototoxicity, has extremely high signal-to-noise ratio and sensitivity, can be used for cell and living body imaging, has the advantages of being free of interference of biological matrixes, different in detection mode and the like compared with a traditional fluorescent probe, guarantees the accuracy of experiments, has the characteristics of detection convenience and high-throughput detection, and is suitable for large-scale popularization and application. The potential application value is realized in new drug research and development and individualized drug treatment.

The invention belongs to the technical field of biological medicine, and particularly relates to application of magnoflorine in preparation of a product for preventing / treating liver injury. The invention discusses the protective effect and mechanism of magnoflorine on MTX hepatotoxicity for the first time, and magnoflorine regulates ROS accumulation and mPTP permeability through targeting GSK3beta to inhibit pyroptosis of hepatocytes so as to reduce MTX hepatotoxicity. A new target and a new choice are provided for the prevention and treatment of MTX hepatotoxicity, and a research foundation is laid for the research of a new magnoflorine component liver-protecting drug.

The invention discloses a method for identifying a core component and an overall target spectrum of a traditional Chinese medicine compound. The method comprises the following steps: screening metabolic active components of the traditional Chinese medicine compound, acquiring target information of the active components, calculating key targets of the whole formula, determining core active components of the traditional Chinese medicine compound, regulating a network through the key targets, analyzing a path and the like, so that the core components and the key targets of the whole formula of the traditional Chinese medicine compound are determined; the potential mechanism of the compound traditional Chinese medicine for treating different diseases at the same time is further analyzed, and the synergistic effect of the compound is disclosed. The invention provides an innovative thought for material basis and action mechanism research of traditional Chinese medicine complex chemical system intervention of complex diseases, and lays a methodological basis for clinical precise positioning of classical famous prescriptions and new drug development.

The invention belongs to the field of gene therapy, and relates to a DNA (deoxyribonucleic acid) molecule for targeted degradation of target protein and application. The DNA molecule comprises at least one group of D-PROTAC units, each group of D-PROTAC units comprises at least one first DNA chain segment for coding a ubiquitin ligase targeting peptide and at least one second DNA chain segment for coding a target protein targeting peptide, and a third DNA chain segment for coding a connecting peptide is optionally arranged between the adjacent first DNA chain segment and second DNA chain segment. The gene therapy specific PROTAC molecular model is successfully constructed, the huge potential of a gene therapy method in the aspects of research, development and application of new PROTAC anticancer drugs is proved, the action mode of the PROTAC technology is innovated, and a new treatment application scene is expanded for gene therapy.

The invention belongs to the field of medicines, and particularly relates to a pharmaceutical co-crystal of fenerenone and maleic acid and a preparation method of the pharmaceutical co-crystal. The pharmaceutical co-crystal of the fenerenone and the maleic acid prepared by the invention has the advantages of high purity, proper solubility, good stability and the like, and is suitable for new drug development and industrial production. The preparation method of the pharmaceutical co-crystal of the fenerenone and the maleic acid, provided by the invention, is simple in process route, low in cost and suitable for industrial production.

The invention relates to the technical field of disease animal models, in particular to a construction method, an evaluation method and application of a bipolar affective disorder liver stagnation and spleen deficiency syndrome combined animal model. According to the method, a liver depression and spleen deficiency syndrome modeling method is adopted for model construction, evaluation indexes are formulated by combining manic and depression behavior expressions of mice and innovatively combining typical expressions of liver depression and spleen deficiency, a liver depression and spleen deficiency syndrome animal model evaluation method is explored, and a thought is provided for achieving standardization and normalization of liver depression and spleen deficiency syndrome model evaluation. The modeling method is simple and economical, provides an experimental animal model for syndrome differentiation treatment of diseases, particularly provides a corresponding animal model for traditional Chinese medicine syndrome differentiation treatment and new drug pharmacological experiments, accelerates the progress of traditional Chinese medicine disease syndrome research and new drug development, provides technical service for drug evaluation, and has great application value.

The invention relates to the technical field of medicines, and particularly discloses a screening target of an antibacterial drug, application and a screening method, and the screening method comprises the following steps: testing the interaction between a candidate drug and the target; functional verification of the target protein; testing the antibacterial activity of the candidate drugs; and carrying out an in-vitro antibacterial curve test, evaluating the sterilization or antibacterial effect of the candidate drug on different bacteria, and comparing the change of bacterial gene expression before and after the treatment of the candidate drug through omics analysis (transcriptome and proteome analysis). A new direction is provided for research and development of antibacterial drugs by discovering a new antibacterial target, such as Spx and SodA, of the ISP I except for acting on bacterial ribosomes, a new drug without cross resistance with traditional antibiotics can be developed according to the drug design of the new target, the antibacterial effect is improved, the new antibacterial target of the ISP I in the colimycin and the action mechanism of the new antibacterial target are disclosed, and the application of the ISP I in the colimycin in preparation of the antibacterial drugs is promoted. And a new thought and a new method are provided for research and development of antibacterial drugs.

The invention provides an establishment method and application of a non-human primate retinal pigment epithelium injury model, and belongs to the field of animal models. The method comprises the following steps: (1) performing anesthesia and mydriasis on a non-human primate; (2) attaching a full retinoscope to the cornea, and adjusting a slit lamp so that an operator can observe the macular fovea centralis, optic disc and upper and lower vascular arches of the non-human primate; and (3) carrying out photocoagulation on the photocoagulation area by using a laser photocoagulator, and ending the photocoagulation until 250-300 primary light spots appear in the photocoagulation area. The invention provides a method for constructing a non-human primate retinal pigment epithelium (RPE) injury model by using laser by taking a non-human primate as a model animal for the first time. The model forming rate of the RPE injury animal model constructed by the invention is stable, the injury caused by the RPE injury animal model is irreversible, and a stable animal disease model is provided for clinical research and development of new drugs related to dry age-related macular degeneration caused by RPE injury.

The invention provides application of magnoline in preparation of antiviral drugs, and belongs to the technical field of antiviral drugs. It is proved from the cellular level that magnoline has the inhibiting effect on various common infectious disease viruses of domestic pigs, and particularly has the remarkable inhibiting effect on proliferation of African swine fever virus (ASFV), porcine reproductive and respiratory syndrome virus (PRRSV), porcine circovirus type 2 virus (PCV2) and porcine epidemic diarrhea virus (PEDV) in vitro. The invention also discloses an antiviral composition consisting of the active component magnoline or the pharmaceutically acceptable salt thereof and a pharmaceutically acceptable carrier and / or excipient, and discloses application of the composition in preparation of a virus infection inhibitor and / or a pharmaceutical preparation for preventing and / or treating virus infectious diseases. And a basis is provided for developing novel broad-spectrum antiviral drugs.

The invention discloses a goat milk bioactive polypeptide with antioxidation and angiotensin converting enzyme inhibition activity, and preparation and application thereof, and belongs to the field of biological polypeptides, and a preparation method and application thereof. In-vitro tests prove that the polypeptide has an excellent antioxidant effect, can remarkably reduce blood pressure and is beneficial to prevention and treatment of cardiovascular diseases, the interaction mechanism of the polypeptide and ACE is defined by using a molecular docking technology, scientific basis and targets are provided for research and development of new drugs, and the polypeptide has potential physiological functions such as antioxidant activity and ACE inhibitory activity and has a broad application prospect. The method is suitable for functional food and medicine development and has a wide application prospect.

The invention discloses application of a small molecule compound in preparation of an IL-6R inhibitor, and belongs to the technical field of medicines. According to the research, two novel small molecule compounds targeting IL-6R are successfully identified through multiple calculation methods and in-vitro experiments, the two novel small molecule compounds are respectively named as Z1268663363 and Z1268663684, and the small molecule compounds can inhibit IAV and SARS-CoV-2 induced IL-6 signal channels and IL-6 induced phosphorylation of STAT3, JAK2 and gp130, and can be used for inhibiting IL-6R signal channels induced by IAV and SARS-CoV-2 induced IL-6 signal channels induced by IAV and SARS-CoV-2 induced IL-6 signal channels induced by IAV and SARS-CoV-2. The TF-1 cell proliferation stimulated by IL-6 can also be inhibited, and the combination of IL-6 and IL-6R is blocked. In addition, the MD simulation demonstrates spontaneous and sustained binding between the compound and IL-6R. The research reveals a flexible binding site of IL-6R, determines a promising small molecule conjugate, and promotes the development of new drugs for IL-6 related diseases.