554 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 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.

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 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 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 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.

Disclosed is a composition and method for a therapeutic treatment that is able to combat triple negative breast cancers (TNBCs). The class of urea compounds acts by blocking at inhibiting the mTOR signaling pathway, which, as a central regulator of mammalian metabolism and physiology that when inhibited leads to the induction of autophagocytosis. The disclosed compounds are further capable of reinitiating the p53 cycle as well as inhibition of the BNIP3 / BNIP3L pathway. The disclosed compounds also shows the ability to cross the blood-brain-barrier where metastases can form. This new drug has the potential to be a powerful new treatment to combat invasive TNBCs.

The invention relates to the technical field of biology, in particular to a construction method of an obstructive sleep apnea animal model. The invention provides a construction method of an OSA animal model, which comprises the following steps: respectively injecting 50% glycerol or LPS (lipopolysaccharide) on both sides of the palatopharyngeal muscle of a rabbit to construct the OSA animal model. The method not only can simulate the OSA comprehensively from dissection and pathophysiological features, but also has the advantages of high safety, high success rate and no need of high-end equipment and special operation. The method accords with a clinical practical OSA animal model, has a great promotion effect on revealing OSA pathogenesis, developing new drugs and the like, and has a good application prospect.

The invention discloses a micromolecular bioluminescent probe capable of being used for monitoring in vivo / in vitro dipeptidyl peptidase IV in real time and a preparation method and application thereof.The probe is marked as DPP4-PD, during preparation, N-[t-butyloxycarbonyl] glycyl-L-proline and 6-amino-2-benzothiazole formonitrile serve as starting materials and then react with L-cysteine hydrochloric acid, and finally Boc is removed. The synthesis raw materials are easy to obtain, operation is simple, and popularization is easy. The micromolecular bioluminescence probe provided by the invention can specifically respond to DPP4 enzyme in vivo / in vitro in real time; and the probe has the remarkable advantages of high selectivity, high sensitivity, high stability, high biological safety, high signal-to-noise ratio (S / N) and the like during imaging, and has wide application prospects in the fields of pathological research, efficacy evaluation and new drug research and development.

The present invention discloses a method for extracting effective active ingredients from Buddleja buddhist flower and its application. The method comprises the following steps: first subjecting the crushed Buddleja buddhist flower to ethanol reflux extraction and concentration, and then extracting the obtained Buddleja buddhist flower alcohol extract with petroleum ether, ethyl acetate, and n-butanol respectively. The remaining aqueous phase is concentrated under reduced pressure, purified by a D101 macroporous resin column, and the target product obtained after drying is structurally identified as a verbascoside monomer compound. The method of the present invention can better control the quality standards of Buddleja buddhist flower and pave the way for a more in-depth study of its pharmacological effects by effectively separating the verbascoside compounds from the Buddleja buddhist flower, thereby laying the foundation for the clinical development of new drugs with anti-tumor, antioxidant, and immunomodulatory activities.

The invention discloses a preparation method and application of a sepsis-related encephalopathy model based on HLA II type gene humanized mice. According to the invention, HLA DP401 / DRA-IA beta- / -transgenic humanized mice are utilized, and the HLAII type gene humanized mouse sepsis model is prepared through mouse cecum seroperitoneal infection (CS) and meropenem intervention. The sepsis encephalopathy model can be comprehensively evaluated through indexes such as clinical score MSS, serum and hippocampal tissue inflammatory cytokine detection, hippocampal tissue microglial cell activation, hippocampal neuron spinous process change, transcriptomics, behavioral change and the like, and the sepsis encephalopathy model can be used for screening therapeutic drugs and therapeutic schedules; the HLA II type gene humanized mouse sepsis-related encephalopathy model provided by the invention can be used for infectious encephalopathy pathogenesis research, new drug research and development and safety evaluation.

The invention relates to the technical field of biological medicine, and discloses an application of an Aspisin small-molecule inhibitor in preparation of a medicine for preventing and / or treating diabetic nephropathy, and the Aspisin small-molecule inhibitor comprises ganoderic acid DM. The inhibitor ganoderic acid DM targeting Aspisin is screened from a bioactive compound library by combining high-throughput virtual drug screening with biological activity screening, it is found that ganoderic acid DM can be specifically combined with Aspisin and shows high affinity, and it is expected that an experimental basis is provided for clinical treatment and prevention of DKD and new drug research and development.

Disclosed is a new pharmaceutical composition for oral administration containing sulfasalazine and / or a sulfasalazine organic salt, production processes and uses, in particular in the treatment of a disease or condition in which modulation of inflammatory cells is beneficial, a disease or condition concerning bones or joints and / or the gastro-intestinal tract.

The invention relates to a construction method of an atopic dermatitis mouse model. The method sequentially comprises the following steps: screening mice, feeding the mice in an SPF (specific pathogen free)-level animal house by adopting an illumination and darkness alternating period, and freely taking standard feed and drinking water; after the animals adapt to the environment, the animals are divided into a model group and a control group, and the control group is only subjected to first sensitization treatment; the model group is subjected to first-time sensitization treatment and maintenance treatment, the interval between the first-time sensitization treatment and the maintenance treatment is 4 days, and the maintenance treatment is performed for three times per week and is totally 16 days continuously. According to the method disclosed by the invention, the mouse model which is highly similar to human atopic dermatitis in immunology, pathology and molecular level is successfully established, the limitations of poor repeatability, incomplete pathological characteristics, single immunoreaction type and the like of the existing model are overcome, and an effective experimental platform is provided for disease research and new drug development.

The invention relates to the field of molecular diagnosis and tumor risk assessment, in particular to a marker combination and a kit for assessing the lymphatic metastasis risk of cervical cancer and application of the marker combination and the kit. The marker comprises a group of gene markers and a group of microbial markers, the gene markers comprise CARD9, MNX1AS2, MRAS, OLFML2A and RPS28, preferably, the gene markers further comprise at least one of CFL1P1 and GRASLND, and the microbial markers comprise microorganisms of the genus Dialister, the genus Catonella and the genus Campylobacter. The marker provided by the invention can be used for constructing an accurate risk assessment model, and can be used for developing a corresponding PCR (Polymerase Chain Reaction) kit, a mass spectrum or a chromatographic analysis system to realize metastasis risk prediction, curative effect assessment and new drug screening of cervical cancer patients.

This invention relates to the application of β-sitosterol glycoside in the preparation of products for treating lung cancer. This invention creatively provides a new use for the active monomer β-sitosterol glycoside, demonstrating that β-sitosterol glycoside can significantly inhibit the migration ability of lung cancer cells at doses without cell proliferation inhibitors, clarifying the specificity of its anti-metastatic effect, and laying the foundation for further new drug development of this monomer component. Through an in vivo mouse lung metastasis model, this invention demonstrates that β-sitosterol glycoside effectively inhibits the formation of lung metastases while exhibiting no significant toxic side effects in experimental animals, demonstrating high safety, and providing a new candidate molecule for the development of low-toxicity, highly effective anti-lung cancer metastasis drugs.

The invention discloses a compound of a Galectin-3 and EGFR (Epidermal Growth Factor Receptor) double-target inhibitor in the technical field of biological medicines, and the compound disclosed by the invention not only shows a relatively strong Galectin-3 and EGFR binding effect, but also has certain in-vitro anti-hepatic fibrosis activity, and can be applied to Galectin-3 and EGFR target related tumor diseases. As a double-target anti-hepatic fibrosis candidate compound based on Galectin-3 and EGFR, which is reported for the first time, the compound has further values of research and development and research of original new drugs based on double targets of Galectin-3 and EGFR.

The invention belongs to the field of pharmacology, and discloses a crystal form I of an oxazolidinone antibacterial candidate new drug OTB-658, a preparation method of the crystal form I, a composition of the crystal form I and application of the crystal form I. Specifically, the invention relates to a crystal form I of N-(((3S, 3aS)-8-fluoro-1-oxo-7-thiomorpholinyl-3a, 4-dihydro-1H, 3H-benzo [b] oxazole [3, 4-d] [1, 4] oxazine-3-yl) methyl) acetamide, namely OTB-658, and a preparation method thereof. The OTB-658 crystal form I is used as an active pharmaceutical ingredient to prepare drugs for treating and / or preventing bacteria, especially mycobacterium tuberculosis infectious diseases. # imgabs0 #

The application discloses a preparation method of an abacavir metabolite, and belongs to the field of drug metabolite synthesis. The whole process is reasonable in design, strong in operability, and has high implementation value and social and economic benefits. The method uses compound I as a starting material, and synthesizes the abacavir metabolite through two-step reactions. The optimal synthesis step and reaction condition are screened through experiments. The abacavir metabolite synthesized by the method has a liquid-phase purity of 98.2% or above and a chiral purity of 99.9% or above, provides a test sample for abacavir research, and has important research reference value in clinical pharmacokinetic research and new drug research and development.