1249 results about "Drug development" patented technology

A scalable platform for orchestrating networks of specialized AI multi-agent networks that enables secure collaboration through token-based protocols and real-time result streaming with advanced dynamic chain-of-thought pruning. The central orchestration engine manages domain-specific agents, implementing sophisticated multi-branch reasoning with contribution-estimation layers that evaluate each agent's utility using Shapley value-inspired metrics. The system employs information-theoretic and gradient-based surprise metric to guide memory updates and dynamic reasoning expansion, preventing local minima stagnation while preserving valuable insights through adaptive forgetting mechanisms. The platform unifies Monte Carlo tree search with contribution-aware estimation to detect high-synergy expert combinations while maintaining privacy through partial data approaches. It scales across distributed computing environments, enabling complex collaborative tasks like materials discovery, product engineering and manufacturing process design, biomedical research, and drug development. The system supports multi-party economic rewards through systematic contribution effort, cost and importance tracking, while standardized interfaces manage security, privacy, and policy constraints across heterogeneous agents.

The disclosure herein relates to systems, methods, and devices for medical image analysis, diagnosis, risk stratification, decision making and / or disease tracking. In some embodiments, the systems, devices, and methods described herein are configured to analyze non-invasive medical images of a subject to automatically and / or dynamically identify one or more features, such as plaque and vessels, and / or derive one or more quantified plaque parameters, such as radiodensity, radiodensity composition, volume, radiodensity heterogeneity, geometry, location, perform computational fluid dynamics analysis, facilitate assessment of risk of heart disease and coronary artery disease, enhance drug development, determine a CAD risk factor goal, provide atherosclerosis and vascular morphology characterization, and determine indication of myocardial risk, and / or the like. In some embodiments, the systems, devices, and methods described herein are further configured to generate one or more assessments of plaque-based diseases from raw medical images using one or more of the identified features and / or quantified parameters.

The invention relates to an inverse synthesis route planning method and system based on a multi-modal large model, and belongs to the technical field of chemical synthesis and artificial intelligence crossing. The method comprises the following specific steps: firstly, extracting three-dimensional molecular structure characteristics of a target product through a molecular encoder, and aligning the three-dimensional molecular structure characteristics with text modals of molecules; secondly, reasoning a possible reaction mechanism and a reaction type, and reducing an inverse synthesis search space; secondly, splitting a target product into reasonable synthesis subunits through structured marking and vocabulary expansion, data-driven atomic assignment learning and reaction center recognition and activity prediction; finally, SMILES representations and reaction paths of the reactants are generated. According to the method, the accuracy and interpretability of inverse synthesis path planning can be improved, and a new technical means is provided for automation and intellectualization in the fields of new drug development, material design and the like.

The disclosure herein relates to systems, methods, and devices for medical image analysis, diagnosis, risk stratification, decision making and / or disease tracking. In some embodiments, the systems, devices, and methods described herein are configured to analyze non-invasive medical images of a subject to automatically and / or dynamically identify one or more features, such as plaque and vessels, and / or derive one or more quantified plaque parameters, such as radiodensity, radiodensity composition, volume, radiodensity heterogeneity, geometry, location, perform computational fluid dynamics analysis, facilitate assessment of risk of heart disease and coronary artery disease, enhance drug development, determine a CAD risk factor goal, provide atherosclerosis and vascular morphology characterization, and determine indication of myocardial risk, and / or the like. In some embodiments, the systems, devices, and methods described herein are further configured to generate one or more assessments of plaque-based diseases from raw medical images using one or more of the identified features and / or quantified parameters.

The invention provides a solvent compound crystal which is formed by rosmeltirol and a 1, 4-dioxane solvent, and the molecular formula of the solvent compound crystal is C17H12Cl2N6O4.C4H8O2. The preparation process of the crystal form is simple, the operation is simple and convenient, the quality index of the obtained crystal form is basically kept unchanged in a stability acceleration experiment, the crystal form has good stability and is easy to store in the production circulation process, a good choice is provided for preparation of a medicinal preparation of the crystal form, and the crystal form has very important significance for medicine development.

The invention relates to the technical field of computer-aided drug research and development, and provides an antibacterial peptide function recognition optimization method and system based on deep learning and LLM. Systematic innovation is performed in multiple links such as feature extraction, data generation and reasoning verification by introducing a fusion mechanism of a large language model and a deep learning model; and the accuracy and robustness of antibacterial peptide function prediction are obviously improved. On one hand, a strict feature extraction process and a structured cue word template are constructed, sequence information and physicochemical property indexes of the antibacterial peptide and a prediction result of a deep learning model can be effectively integrated, and the prediction result is reasonably corrected and optimized through the reasoning ability and knowledge verification mechanism of a large language model. The misjudgment risk of a traditional deep learning method under the condition of insufficient samples or incomplete features is effectively reduced, and the prediction accuracy and stability are remarkably improved.

The invention discloses a multi-dimensional screening method for protein design based on a lexicographical order optimization strategy, and belongs to the field of biotechnology and synthetic biology. The method comprises the following steps: predicting a three-dimensional structure of a compound of a target protein and a ligand to construct a three-dimensional skeleton model of the target protein; generating a functional adaptive amino acid sequence; and adopting multi-dimensional screening indexes, including structure prediction precision, thermodynamic stability evaluation, thermal stability analysis and physicochemical property calculation, and performing priority ranking and hierarchical screening on candidate sequences in combination with a lexicographical order optimization algorithm. Through strict priority-driven multi-objective optimization, the design efficiency and success rate are remarkably improved, the number of experimental verification times is reduced, and the method is suitable for the fields of drug development, industrial enzyme engineering, gene therapy and the like and has important application value.

The present invention discloses the application of liver cancer cell ferroptosis inducer miR‑11085‑5p in the preparation of liver cancer treatment drugs, and innovative applications in the field of liver cancer treatment, specifically to the application of liver cancer cell ferroptosis inducer miR‑11085‑5p in the preparation of liver cancer treatment drugs. The present invention adopts lentiviral transfection technology to synthesize miR‑11085‑5p in vitro, and introduce it into liver cancer cells, and effectively induce liver cancer cells to undergo ferroptosis by precisely regulating the key signaling pathway of intracellular AMPKα / Nrf2, significantly inhibiting its proliferation activity. Therefore, for the disadvantages of low efficiency, large side effects and easy recurrence and metastasis of existing treatment methods for liver cancer, the miR‑11085‑5p provided by the present invention may become a biological preparation for the treatment of liver cancer, with potential drug development value, and provide a new solution for the treatment of liver cancer.

The invention discloses an enzyme response type KRAS targeted protein degradation chimera as well as a preparation method and application thereof, and belongs to the technical field of tumor targeted therapy. The enzyme response type KRAS targeted protein degradation chimera disclosed by the invention is obtained by covalently linking three parts, namely a KRAS targeted protein degradation chimera, an enzyme response type amino acid sequence and a cell penetrating peptide amino acid sequence, wherein the KRAS targeted protein degradation chimera is obtained by linking a KRAS targeted peptide and a VHL E3 ligase ligand through succinic acid. The enzyme response type KRAS targeted protein degradation chimera releases the KRAS targeted protein degradation chimera under the action of ATG4 enzyme shearing, and shows a relatively strong lung cancer resisting effect in vitro and in vivo. The invention has significant advantages in the aspect of antitumor drugs, and opens up a new field for the development of targeted protein degradation chimera drugs. Enzyme response type KRAS targeted protein degradation chimera molecular structural formula as follows: # imgabs0 #

The invention belongs to the technical field of biological medicines, and particularly relates to application of oxibenzophenone in preparation of a medicine for treating pathological cardiac hypertrophy and / or heart failure. Research results in myocardial cells of primary newborn rats show that Exibenzophenone can inhibit pathological hypertrophy of myocardial cells induced by phenylephrine (PE). Animal experiments show that the epoxybenzophenone can improve cardiac dysfunction induced by aortic arch constriction (TAC) and reduce cardiac hypertrophy and cardiac tissue fibrosis. The invention provides a new drug research and development approach and a drug action target for treating pathological cardiac hypertrophy and heart failure, and has very important medicinal value.

The invention relates to a polypeptide NbG7-4 capable of identifying and neutralizing SFTSV, 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 NbG7-4 is constructed; meanwhile, the curative effect of the NbG7-4 in treating the 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 belongs to the field of preparation of medical intermediates, and particularly relates to a preparation method of an On-DNA sulfinic acid structure compound. The method for preparing the On-DNA sulfinic acid structure compound comprises a step of oxidizing On-DNA thiol (phenol) into the On-DNA sulfinic acid structure compound under alkaline and heating or illumination conditions, a solvent used in the reaction step is a mixed solution of water, dimethyl sulfoxide, N, N-dimethylformamide, acetonitrile, ethanol or tetrahydrofuran, the reaction temperature is not more than 80 DEG C, and the reaction time is not more than 2 hours. And the illumination wavelength ranges from 365 nanometers to 535 nanometers. The On-DNA sulfinic acid structure compound obtained in the invention can be directly used for constructing a structure compound with a sulfonyl group, the reaction condition is mild and convenient, a new method and a new idea are provided for construction of a DNA coding compound library, and the On-DNA sulfinic acid structure compound has a very good application prospect in lead drug development.

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 belongs to the technical field of antibacterial active microorganisms, and particularly relates to a strain of diffusion carbon pad bacteria LUCF 4343-3, a bacterial agent and application of the bacterial agent in preparation of an antibacterial preparation. According to the invention, an endophytic fungus strain with remarkable antibacterial potential is successfully separated from Parmotrema, and the endophytic fungus strain is identified as diffusion carbon pad fungus LUCF 4343-3. Experiments show that an ethyl acetate extract of the strain shows a good inhibition effect on various clinical common pathogenic bacteria, including gram-positive bacteria (staphylococcus aureus and enterococcus faecalis), gram-negative bacteria (pseudomonas aeruginosa), fungi (candida albicans and candida glabrata) and the like; the discovery provides an important basis for the application of the strain in the development of novel broad-spectrum antibacterial drugs.

The invention belongs to the technical field of biology, and particularly relates to an immortalized alpaca kidney cell line and a construction method and application thereof. The immortalized alpaca kidney cell line disclosed by the invention is named as immortalized alpaca kidney cells (Alpaca kidney cells) BNalpaca 1.0, and the preservation number of the immortalized alpaca kidney cell line is CGMCC (China General Microbiological Culture Collection Center) No.46058. The construction method of the immortalized alpaca kidney cell line comprises the following steps: extracting and culturing alpaca primary kidney cells; infecting alpaca primary kidney cells by using SV40 large T antigen immortalized lentivirus; carrying out resistance screening on the immortalized alpaca kidney cells; carrying out alpaca kidney cell immortalized cell detection and identification; and obtaining the immortalized alpaca kidney cell line. The immortalized alpaca kidney cell constructed by the invention has the advantages of simple culture, repeated passage, good homogeneity, high expression quantity of constructed exogenous genes and the like, and provides a more powerful tool cell for research on alpaca immunity; the immortalized alpaca kidney cell line provides a new tool for virus infection mechanism, drug in-vitro function detection and antibody drug development and screening.

The application provides a Huangdache oligosaccharide with GLP-1 agonist activity and application thereof, and belongs to the technical field of medicines. 3 The oligosaccharide component ELYP-3 has a molecular weight of 3.2*10 3 Da, and the molar ratio of monosaccharides is rhamnose:galacturonic acid:glucose:galactose:arabinose = 1:32.42:45.37:9.11:6.54. The Huangdache oligosaccharide fragment obtained by glycosidase degradation has significant hypoglycemic and weight loss activities, the preparation process is simple, specific and green, and provides scientific basis and theoretical support for the development of natural GLP-1 agonists. Meanwhile, the functional oligosaccharide provides a wide application prospect for the development of medicines with blood glucose regulation.

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 belongs to the technical field of biological medicine, and particularly discloses an artificial valve tissue calcification model and a preparation method and application thereof. The preparation method comprises the following steps: providing human valvular interstitial cells; the method comprises the following steps: providing a hydrogel system, wherein the hydrogel system comprises type I collagen, fibrinogen and Matrigel matrigel; constructing an engineered heart valve tissue strip by taking the hydrogel system as a skeleton structure between valve interstitial cells; and culturing the engineered heart valve tissue strip by using a calcification induction culture solution, so that the valve tissue generates a calcification phenotype. The model provided by the invention can generate a valve calcification phenotype which is similar to that after human heart valve calcification and is represented by valve interstitial cell activation, extracellular matrix remodeling such as collagen mass secretion and calcium deposition region generation. The model provided by the invention is low in cost, can be produced in batches, meets the research on the pathogenesis of extracorporeal valve calcification, and makes up for the dilemma that no artificial valve calcification model is available for drug research and development at present.

The present invention provides a tetrazole compound, a pharmaceutical composition thereof and a use thereof. The compound of the present invention has a brand-new structure, a low clearance rate, high plasma exposure, good oral bioavailability, and good pharmacokinetic properties, and is conducive to drug development. The compound of the present invention or a pharmaceutically acceptable salt thereof can be used for preventing and / or treating pain, including neuropathic pain, etc.

The invention belongs to the technical field of drug development, and particularly relates to application of 2-fluoro-N-(2-(4-methyl-2-(m-tolyl) thiazole-5-yl) ethyl) benzenesulfonamide in preparation of drugs for treating nervous system diseases. The invention aims to provide a medicine which has small toxic and side effects and can target SLC11A2 to treat or improve nerve cell injury. According to the technical scheme, the invention relates to application of 2-fluoro-N-(2-(4-methyl-2-(m-tolyl) thiazole-5-yl) ethyl) benzenesulfonamide in preparation of a medicine for treating nervous system diseases. It is proved that the compound 2-fluoro-N-(2-(4-methyl-2-(m-tolyl) thiazole-5-yl) ethyl) benzenesulfonamide is small in toxic and side effect, and nerve cell damage can be protected or improved by targeting SLC11A2; and a new choice is provided for treating or improving nerve cell injury.

The invention discloses a method for screening a non-natural nucleic acid aptamer of targeted thrombin based on streptavidin magnetic beads and application, and belongs to the technical field of biology. According to the method, an initial screening library is efficiently constructed through a primer extension technology, and a chemical modification SELEX technical process is simplified; a streptavidin magnetic bead separation technology is introduced, so that the screening specificity and efficiency are improved, the screening period is remarkably shortened, and the cost is reduced; by selecting non-natural nucleic acid modification sites and adopting a strategy of combining reverse screening and forward screening, high specificity and affinity of the aptamer are ensured, and limitation of an existing screening method is overcome; the screened non-natural nucleic acid aptamer shows high affinity and excellent stability, the aptamer with a specific structure and function is successfully obtained by optimizing the proportion of nucleoside triphosphate monomers and extension reaction conditions, and a wide application prospect is provided for the fields of drug development, biosensor preparation and the like. A new path is opened up for research and application of the nucleic acid aptamer.

An application method of a modified peptide derived from Urechis unicinctus is to prepare a drug for treating alcoholic liver disease. The modified peptide derived from Urechis unicinctus is one or more selected from F2-1: IHVKF (SEQ ID NO: 1), F2-2: VHFKI (SEQ ID NO: 2), F4-1: GAWKP (SEQ ID NO: 3), F4-2: AGWKP (SEQ ID NO: 4), F5-1: GTLKP (SEQ ID NO: 5), F5-2: GTPKL (SEQ ID NO: 6), F7-1: IIVRM (SEQ ID NO: 7), and F7-2: IRMVI (SEQ ID NO: 8). The modified peptide derived from Urechis unicinctus can enhance the degradation of alcohol and boost the survival rate of cells with alcoholic liver disease, and also alleviate lipid metabolism and inflammation in mice, protecting liver from alcoholic liver disease. When applied in drug development for treating alcoholic liver disease, the application method offers low-risk, low-cost, and is simple to operate therapeutic options.

The invention discloses application of PGRN in preparation of products for preventing and treating neuropsychiatric disorder related diseases caused by estrogen deficiency. The invention provides an application of a PGRN protein or a coding gene thereof or a virus expressing the coding gene thereof in preparation of a product with any one of the following functions: 1) preventing or treating or saving neuropsychiatric disorder related diseases caused by estrogen deficiency; 2) preventing or treating perimenopausal anxiety and / or depression symptoms; and 3) relieving anxiety-like behaviors and / or depression-like behaviors caused by estrogen deficiency. The application proves that the PGRN can play a role in protecting neuron damage caused by estrogen deficiency by rescuing CTSD enzyme activity and an autophagy pathway, and prompts that related medicines and measures influencing secretion and content of the PGRN can treat perimenopausal anxiety and depressive symptoms; and a new target and a new idea are provided for clinical treatment and drug development of anxiety and depression symptoms of climacteric women.

This invention belongs to the field of biomedical technology and discloses a method for targeting GABA. A The receptor-dependent cyclic peptide analgesic DZ2 has the following amino acid sequence: Cys-Asn-Thr-Glu-Arg-Pro-Gly-Met-Leu-Asp-Phe-Lys-Gly-Lys-Ala-Lys-Trp-Asp-Ala-Trp-Cys, where the N-terminal Cys and C-terminal Cys are cyclically linked by a disulfide bond, and the molecular weight is 2454.81 g / mol. This cyclic peptide can be obtained through classic Fmoc-solid-phase synthesis, using GABA... A Receptor-targeting drugs play an important role in drug development. The compounds provided in this invention can activate GABA. A The receptor generates a GABA-like inward current. Furthermore, DZ2 exhibits excellent analgesic effects in a mouse pain model, providing a potential alternative for GABA-based analgesics. A This provides new ideas and theoretical basis for the development of receptor-based analgesics.

The invention discloses a chemical reaction large language model training method and a synthetic path planning method, and belongs to the technical field of chemical information artificial intelligence. According to the method, a chemical reaction is expressed as a reaction sentence in an SMILES format, a digital sequence is generated by using a token taking atoms, punctuation marks, numbers and the like as units, and mask filling self-supervision pre-training is carried out by adopting a large language model based on a Transform architecture, so that a chemical reaction rule is learned. In combination with a Monte Carlo tree search algorithm, performing multi-step inverse synthesis path planning on the target molecule, and outputting strategy probability and value estimation; and through multi-task fine tuning, molecular property classification, reaction condition regression and process parameter complementation are supported. The method improves the chemical reaction modeling efficiency and the intelligent level of synthesis path planning, and is suitable for the fields of new drug research and development, material discovery and the like.

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 relates to the technical field of drug safety evaluation, in particular to a multi-center combined evaluation method and system for drug safety based on a graph neural network and federated learning. Known and unknown drug interaction is systematically predicted based on a drug multi-relation knowledge graph and a graph neural network, a key path of DDI is identified through a graph attention mechanism, a molecular mechanism of the interaction is revealed, and natural language interpretation is generated. And meanwhile, through privacy protection and multi-center cooperation, a federal learning architecture is utilized to break data islands and improve the external effectiveness of an evaluation conclusion on the premise of protecting patient privacy and meeting data compliance requirements. The heterogeneity of data of different mechanisms is effectively evaluated through distribution deviation detection, deviation caused by blind extrapolation is avoided, a real-world evidence methodology report and a data traceability auditing clue are automatically generated, the requirement of a supervision mechanism for real-world evidence quality is met, medicine supervision decision is supported, and medicine research, development and review are accelerated.

The invention provides a system for designing and optimizing D-type biomolecules and a method and application thereof. The system comprises a stereoisomerization conversion module, a conjugate skeleton generation module, a sequence design module and an optimization module. The method comprises the following steps: firstly, carrying out stereoisomerization conversion on a target protein structure to generate a stereoisomer structure, and generating a constrained conjugate by utilizing a modeling algorithm under the structural constraint of the stereoisomer structure; on the basis of the generated conjugate skeleton, predicting an adaptive amino acid sequence, and then performing stereoisomerization conversion to obtain the corresponding D-type biomolecule conjugate. And meanwhile, an evolutionary Bayesian optimization algorithm is adopted to carry out iterative optimization on the biomolecule sequence. According to the method, structural constraint and an advanced optimization algorithm are fully utilized, efficient design and optimization of the D-type biomolecules are achieved, high universality and expandability are achieved, and a powerful tool is provided for drug development and biotechnology research.

The present invention relates to an antibody or an antigen-binding fragment thereof binding to CLDN18.2, an antibody-drug conjugate comprising same, and a use of the antibody and the antibody-drug conjugate. An anti-CLDN18.2 monoclonal antibody according to the present invention comprises a fully human antibody sequence, thereby having low in vivo immunogenicity, and exhibits excellent antigen affinity and binding ability specific to a low expression to a high expression level of the CLDN18.2 protein. Thus, the antibody is expected to exhibit high specificity and safety as an antibody-based therapeutic agent such as in the form of a monoclonal antibody and / or an antigen-binding fragment (scFv), an antibody-drug conjugate (ADC), an immune cell engager, a chimeric antigen receptor (CAR), a multispecific antibody, and the like. In addition, the antibody according to the present invention may undergo cellular internalization, enables an anti-CLDN18.2 antibody-drug conjugate comprising said antibodies to be conveniently prepared, and has excellent yield and quality and thus is expected to be highly likely to be developed as a drug. A drug conjugate comprising the anti-CLDN18.2 antibody according to the present invention has excellent in vivo anticancer efficacy and has an expanded therapeutic index (TI) and thus is expected to be usefully employable for the treatment and / or prevention of cancer diseases expressing CLDN18.2 and related diseases.

The present invention belongs to the field of drug research and development, and specifically discloses a method, storage chip and device for efficiently evaluating the efficacy of in vitro combined drug therapy. The present invention directly solves the problems of complexity and high cost of experiments and data processing in the existing drug development process by adopting an AI model and a simplified experimental mode. The AI ​​model optimizes concentration selection based on historical drug data, thereby reducing redundant concentrations and unnecessary number of experiments in the experiment, and improving the sensitivity and reliability of the evaluation. By simplifying the experimental design to single drug concentration point testing and a 3x3 combined drug matrix, the complexity and cost of the experiment are significantly reduced, while the speed of data processing and analysis is accelerated. The method disclosed in the present invention avoids excessive combined drug pre-testing by directly conducting single drug and 3x3 matrix combined drug testing, which can not only more effectively identify potential synergies between drugs, but also provide more accurate and practical data to support future clinical research.