151 results about "Ligand molecule" patented technology

The present invention relates to the technical field of molecular interaction analysis, and specifically provides a method for analyzing intermolecular interactions. The method comprises the following steps: using a rare earth material with a ligand molecule modified on its surface as an upconversion material, contacting the upconversion material with a target molecule in a solution system, irradiating the solution system with excitation light that matches the rare earth material, and continuously changing the intensity of the excitation light actually received by the upconversion material as the target molecule continuously binds and dissociates with the ligand molecule of the upconversion material in a dynamic process, thereby changing the intensity of the emitted light. By recording the curve of the emission light intensity changing with time, the molecular interaction kinetic constants, such as the binding rate constant (K on ), dissociation rate constant (K off ) and affinity (K D ), etc., which solves the technical problems of low accuracy of existing BLI technology and high cost of SPR technology. Based on the above principles, the present invention has also developed a series of experimental consumables, kits, sensors and analytical devices for molecular interaction analysis.

The invention discloses a lysosome targeted chimera based on Sortilin and application thereof. The lysosome targeted chimera comprises a ligand molecule of a lysosome targeted receptor and a ligand molecule of a targeted protein to be degraded, wherein the ligand molecule and the ligand molecule are connected through a linker; the lysosome targeting receptor is Sortilin, and the ligand molecule of the lysosome targeting receptor is a polypeptide targeting the Sortilin; the protein to be degraded is membrane protein or extracellular protein. Furthermore, the polypeptide of the targeted Sortilin is connected with an enzyme response sequence and an integrin receptor targeting sequence. According to the invention, the Sortilin-combined ligand neurotensin is functionally coupled with the neutralizing antibody or polypeptide of overexpression protein in targeted tumor or inflammatory diseases, and the Sortilin-combined ligand neurotensin has obvious treatment gain in malignant solid tumor and psoriasis models. The discovery promotes the transformation potential of the lysosome participating in the biological agent, and provides a dual strategy for realizing accurate degradation through receptor recruitment and microenvironment induction.

The invention discloses a two-dimensional bionic nanostructure assembled based on receptor-ligand acting force and a preparation method of the two-dimensional bionic nanostructure. The core characteristic of the two-dimensional bionic nanostructure is that the ultrafine particles modified by ligand molecules are anchored on the surface of a cell membrane fragment with a corresponding receptor expressed on the surface through a receptor-ligand effect, so that uniform compounding of the ultrafine particles and the cell membrane is realized; the bottlenecks of low compounding efficiency, functional site masking and the like caused by high surface curvature of small-size particles in the traditional cell membrane complete wrapping technology are broken through. According to the preparation method disclosed by the invention, the binding force between the cell membrane and the ultramicro particles is stronger, the off-target phenomenon of the ultramicro particles in the in-vivo circulation process can be avoided, the response release of the ultramicro particles under the competition effect in a lesion region expressed by a high-abundance receptor can be realized, and the preparation method has a good application prospect in the aspect of precise drug delivery. Meanwhile, the in-vivo circulation time of the ultrafine particles is prolonged by membrane loading, the biocompatibility of the ultrafine particles is improved, and the effectiveness and low toxicity of a drug delivery system are ensured.

The invention relates to a UCNPs probe-based in-situ dynamic monitoring molecular interaction method, which comprises: S1, providing a UCNPs probe, the core layer of the UCNPs probe being a rare earth up-conversion nanocrystal, the shell layer of the UCNPs probe being an anti-quenching inert material, and the anti-quenching inert material coating the surface of the rare earth up-conversion nanocrystal; the surface of the anti-quenching inert material is modified with ligand molecules, and the ligand molecules are used for being specifically combined with target molecules in a to-be-detected sample; s2, mixing or contacting the UCNPs probe with a to-be-detected sample containing target molecules to construct a to-be-analyzed molecular interaction system; s3, irradiating the molecular interaction system by adopting near-infrared pulse laser, and collecting the change of the fluorescence lifetime tau of the UCNPs along with the time t and the change of the fluorescence intensity I along with the time t in real time to obtain a tau-t curve and an I-t curve; and S4, according to the tau-t curve and the I-t curve, realizing in-situ dynamic monitoring on the molecular interaction state. According to the method, a molecular binding / dissociation event is directly converted into a quantifiable and anti-interference optical signal, and the technical defect that in-situ dynamic monitoring of molecular interaction cannot be achieved in a traditional technology is overcome.

The invention discloses a construction method and device of a neural network model for target design drug molecules. According to the method, target pockets are characterized in three levels of atoms, residues and among the residues, so that the information of the target is more comprehensively considered; a molecular fragment obtained by a chemical structure inverse synthesis splitting algorithm is taken as a unit, the drug molecules are characterized and generated, and the generated molecules have higher drug forming potential; the model designed by the invention is composed of two neural network encoders and a gated self-attention decoder, the encoders are used for extracting features of a target and ligand molecules, the decoder realizes association of the two features and generates a molecular fragment probability, and the model can effectively design drug molecules for a specific target. Molecules designed by the model constructed by the invention have an average synthesis accessibility score of 0.769 and an average drug-likeness score of 0.607, which are higher than those of a baseline model PMDM.

The invention provides a rare earth complex as well as a preparation method and application thereof. The chemical general formula of the rare earth complex is (Ln < 1x > Ln < 2y > Ln < 31-x-y >) (A) m (B) n, the rare earth complex provided by the invention has a self-assembly behavior, spherical nanoparticles can be formed through molecular aggregation, under ultraviolet irradiation, internal ligand molecules are better protected, the photobleaching process of the rare earth complex under natural conditions is slowed down, and the rare earth complex has better stability and higher weather resistance in the natural environment.

The embodiment of the invention discloses a protein-ligand interaction prediction method and a related device. Determining a prediction interaction pair formed by atoms of the protein and atoms of the ligand molecule according to the data of the protein and the data of the ligand molecule, establishing a loss function according to the node characteristics and the edge characteristics of the real interaction pair and the node characteristics and the edge characteristics of the prediction interaction pair, and adjusting model parameters according to the loss function, the target neural network model can be used for predicting the interaction between any protein and ligand molecules. Physical priori knowledge of protein-ligand interaction is fused in model training and prediction, so that the model can learn characteristics with more biological significance, and the predicted biological correlation is improved. According to the method, the advantages of deep learning are utilized, high-dimensional features are automatically extracted, complex pattern recognition is carried out, the complex relation in protein-ligand interaction is captured, and the stability and accuracy of protein-ligand interaction prediction are improved.

The application belongs to the technical field of food safety detection, and specifically discloses a method for detecting BaP in edible oil by using CTAB modified silver nanomaterial based on LLE-SERS, which comprises the following steps: preparing Ag nanoparticle sol, preparing CTAB functionalized Ag nanoparticle sol, SERS detection of BaP standard aqueous solution with different concentrations, fitting a standard curve, extracting BaP and performing SERS detection. The synthetic raw materials of the surface CTAB functionalized Ag nanoparticles used in the application are simple, and the coverage degree of the ligand molecules CTAB on the surface of the Ag nanoparticles can be controlled and adjusted. The CTAB as the surface ligand can directly capture and enrich BaP molecules. The detection method is high in stability, and can effectively avoid the problem that different batches of samples produce different effects in the Raman test.

The invention provides a DNTF eutectic ligand molecule prediction method based on multilayer information cross fusion, and the method comprises the steps: obtaining current to-be-detected DNTF crystal data, carrying out the preprocessing of the DNTF crystal data, obtaining the preprocessed DNTF crystal data, inputting the preprocessed DNTF crystal data into a trained DMSP network, and obtaining a prediction result of a DNTF crystal; wherein the trained DMSP network comprises a dynamic sparse projection layer, a multi-order interaction module, a structure perception module, a multi-level attention fusion module and a classifier; the DMSP network adopted by the invention can extract eutectic characteristic information which frequently appears and is clear in mode in crystal data through the explicit interaction layer in the multi-order interaction module, the potential characteristic information of eutectic is learned through the neural network of the implicit interaction layer, and finally, the information of the two view angles is fused, so that the eutectic characteristic information is obtained. And in combination with eutectic structure characteristics extracted from the structure sensing module, omnibearing capture of eutectic information is truly realized, so that the prediction accuracy is improved.

The application discloses a kind of based on active fragment's targeted ligand generation method, including fragment sequencing process: based on fragmentation method and sequencing method processing ligand molecule for training obtains fragment sequence;Model training process: ligand molecule fragment sequence and target protein amino acid sequence for training are input into targeted ligand molecule generation model, the molecular representation of ligand molecule fragment sequence is extracted by fragment sequence encoder, and the target representation of target protein amino acid sequence is extracted by target encoder, feature fusion is used after fragment sequence decoder output fragment sequence, and optimization model;Targeted ligand molecule generation process: target protein amino acid sequence is input into the model after training, the target representation is extracted by target encoder, and compound information is predicted by priori network and is input into fragment sequence decoder, and output fragment sequence, again based on molecular reconstruction method fragment sequence is recombined into targeted ligand molecule.

The invention provides a diketopyrrolopyrrole / cadmium quantum dot composite material as well as a preparation method and application thereof. The composite material comprises a composite material system formed by compounding diketopyrrolopyrrole derivative molecules and cadmium quantum dots. According to the invention, the rate and direction of fluorescence resonance energy transfer (FRET) between organic components and inorganic components in the composite material are simply and efficiently regulated and controlled by controlling the size of the quantum dots. The result of the embodiment shows that the composite material with the FRET rate of about 10 < 10 >-10 < 11 > s <-1 > can be obtained by adopting the method disclosed by the invention, and the energy transfer direction of FRET can be accurately regulated and controlled, so that energy transfer from ligand molecules to quantum dots or from quantum dots to ligand molecules is realized. The method is simple and convenient to operate and implement, and an inorganic-organic composite material system with broad-spectrum response can be constructed so as to realize efficient conversion and utilization of solar energy. In addition, the invention also provides a new thought for research and development in the fields of biological imaging, photoelectric devices and the like adopting a quantum dot-dye molecule composite material system.

This invention discloses a method for preparing cerium phytate complexes and their biological applications. A cerium ion aqueous solution is added to a phytic acid aqueous solution under stirring, and stirring continues until precipitation is complete. The mixture is then washed with ultrapure water until the washing solution is neutral, filtered, and dried to obtain a cerium phytate complex with a porous nanostructure. This invention utilizes a method for preparing cerium phytate complexes with the above-described structure and their biological applications, without using organic solvents, making the synthesis process safe and environmentally friendly. Phytic acid, as a ligand molecule constituting cerium phytate, has six phosphate groups, which can efficiently coordinate with cerium ions to form cerium phytate materials, exhibiting good thermal stability and ultraviolet absorption. The cerium phytate nanoparticles formed by the coordination of phytic acid and cerium ions carry a large amount of Ce. 3+ This is the basis for the antioxidant activity of cerium phytate. At the same time, the numerous pores inside the material effectively promote the adsorption of reactive oxygen free radicals, giving it highly efficient antioxidant properties, which can be applied to the treatment of various diseases related to reactive oxygen species.

The application relates to the field of medicinal chemistry and provides a use of a diphenylacetonitrile compound and a protein-targeting hydrolytic chimeric compound. The application finds that a diphenylacetonitrile compound shown in formula (I) directly interacts with FEM1B, thereby serving as an inhibitor of a human E3 ubiquitin ligase substrate recognition receptor FEM1B. The application also provides a compound shown in formula (II), and the compound shown in formula (II) is a protein-targeting hydrolytic chimeric (PROTAC) drug, wherein Q2 is a target protein ligand molecule, Q1 is a FEM1B inhibitor, Q2 is combined with a target protein, thereby inducing E3 ligase FEM1B combined with Q1 to approach the target protein, leading to ubiquitination and degradation of the target protein. Experimental results show that the PROTAC drug shown in formula (II) provided by the application can specifically degrade a target protein in cells. Formula (I); formula (II).

The invention discloses a ligand molecule generation method based on multi-modal information guidance, which fully captures high-precision interaction between a protein pocket and a ligand molecule, not only considers structural information of the ligand molecule, but also performs sufficient information guidance aiming at a protein target point molecule generation method. The generated molecules have diversity, and the requirements of subsequent biological docking experiment verification are met; on the other hand, the potential interaction relationship between the protein structure characteristics and the ligand molecules is utilized, different protein targets are fused in the diffusion process, and various modal information is balanced to guide the generation of the ligand molecules.

The invention relates to a multi-metal zinc complex, a preparation method and application in polymer depolymerization. The multi-metal zinc complex forms a stable coordinate bond with an organic ligand molecular skeleton, shows excellent chemical stability and substrate adaptability, and can efficiently catalyze the depolymerization reaction of various polymers in a temperature range of 100-250 DEG C. In addition, the ligand framework has adjustability, polymer substrates with different compositions and structures can be optimized, and high-yield recovery of various types of monomers is realized. The catalytic system has wide applicability, can catalyze the bulk depolymerization of the polymer, and also can catalyze the depolymerization in the presence of a nucleophilic reagent. Through a multi-metal concerted catalysis mechanism, the dosage of the catalyst is remarkably reduced, various polymers with the number-average molecular weight in the range of 3.8-807.5 kg / mol can be depolymerized, the depolymerization reaction time is 0.5-24.0 h, side reactions are remarkably inhibited, and excellent industrial application prospects are shown.

The application discloses a preparation method of a rare earth coordination type force-induced multi-fluorescent color variable gel, and comprises the following steps: dissolving a Schiff base ligand molecule, a monomer, an initiator and a crosslinking agent in deionized water, and stirring uniformly to obtain a stable solution, wherein the monomer is at least one of acrylamide, ethyl acrylate, methyl acrylate and methacrylic acid; adding a rare earth compound into the stable solution to obtain a prepolymer solution, and obtaining the rare earth coordination type force-induced multi-fluorescent color variable gel through free radical polymerization; the method has mild conditions, simple steps and is easy to realize. The application further discloses the force-induced multi-fluorescent color variable gel prepared through the preparation method; the types of the rare earth ions and the Schiff base ligand molecules are adjusted to obtain a multi-color fluorescent gel, and the visual fluorescent color change is realized under the action of external force. The force-induced multi-fluorescent color variable gel is combined with other functional materials to realize the integration of multiple functions, and can be applied to multiple fields such as optical devices and mechanical sensors.

The objective is to provide a novel method for improving the efficiency of osteogenic differentiation induction based on immobilized BMP-2. [Solution] A method for stimulating cells with ligand molecules, comprising a stimulation step of applying physical stimulation to the cells and / or ligand molecules, wherein the ligand molecule is bound to or interacts with a receptor protein expressed on the cells and is immobilized on a culture substrate and / or matrix molecule used for culturing the cells, the receptor protein mediates the transmission of extracellular signals to the cells based on its binding to the ligand molecule, and the extracellular signals are enhanced by the physical stimulation.

This invention relates to the field of molecular docking technology, and discloses a method and system for screening female reproductive drugs in reproductive medicine. The method includes: constructing a female reproductive drug screening platform for target female users; defining a data parsing algorithm for the user interface; parsing reproductive examination data and reproductive needs into physiological parameters of the target user; mapping physiological states to relevant target proteins; retrieving molecular data of relevant target proteins; and matching ligand molecules of relevant target proteins. The method also includes: culturing target cells in vitro; adding ligand molecules to the in vitro cultured tissue; detecting cell activity, gene expression, and protein expression in the ligand test tissue; analyzing the enhancing effect of the ligand molecules on the ligand test tissue; calculating the gain coefficient of the enhancing effect; screening the optimal ligand molecules; and determining the female reproductive drugs for the target female users. This invention can improve the efficiency and accuracy of female reproductive drug screening in reproductive medicine.

The application discloses a kind of bivalent ligand molecules for targeting BCL6 protein degradation and application thereof, it is related to the technical field of drug development;The structure general formula of the bivalent ligand molecules for targeting BCL6 protein degradation is as follows: M1-L-M2;Wherein, M1 and M2 are independent structure same or different BCL6 protein ligand;L is any chain or cyclic hydrocarbon fragment capable of forming covalent bond with BCL6 ligand.The application also provides the application of the bivalent ligand molecules in the preparation of anti-tumor and / or immune disease drugs.The bivalent ligand molecules can exert good anti-tumor activity on a variety of BCL6-dependent tumors by selectively inducing BCL6 protein degradation, and are also related to the occurrence of a variety of immune diseases, and can be used in related tumor and immune disease drugs.

The present invention belongs to the field of clinical diagnostic technology and relates to a method for preparing an aptamer biosensor for rapid detection of dual tumor markers. The present invention prepares a composite nanofiber membrane of polyacrylonitrile and transition metal salt precursors based on a coaxial electrospinning process. The carbon nanofiber structure uniformly loaded with cobalt metal nanoparticles obtained by a thermal reduction method has a large specific surface area and a unique three-dimensional network electron transmission channel, which significantly improves the electron transfer capacity and the loading amount of aptamer molecules. The biosensor based on the core-shell nanofiber network structure exhibits excellent electrocatalytic ability and signal stability. The preparation process of the biosensor is simple and controllable, and it is easy to achieve large-scale and productized production. It can realize the rapid identification and detection of trace miRNA-155 and miRNA-21 nucleic acid molecules in real serum within 2 minutes, and has important application value in disease diagnosis and clinical biomedicine.

The invention discloses a pharmaceutical composition for treating tumors and application thereof. According to the invention, the BrTAC with anti-tumor activity is constructed by adopting a specific branched skeleton and ligand molecules such as pomalidomide and BI 2536, and the degradation efficiency of target protein PLK1 can be greatly improved. Fluorescence imaging results prove that BrTAC can induce liquid-liquid phase separation in cells, and in-vivo experiment results show that compared with traditional bivalent PROTAC, BrTAC has a better effect in the aspect of PLK1 degradation.

The invention belongs to the field of new materials, and particularly relates to a cobalt-based complex and a preparation method and application thereof.The cobalt-based complex is prepared by taking 1, 3, 5-tris (4-carboxyphenyl) benzene (BTB), 3, 5-dimethyl-4H-1, 2, 4-triazole (DMTA) and cobalt nitrate hexahydrate as raw materials, and a three-dimensional metal organic framework material with nanoscale pore channels is prepared; a basic asymmetric unit of the complex comprises one hexa-coordinated Co < 2 + >, one deprotonated BTB3 <-> ligand molecule, one coordinated DMTA ligand molecule and one coordinated water molecule; the ligand 1, 3, 5-tri (4-carboxyl phenyl) benzene, 3, 5-dimethyl-4H-1, 2, 4-triazole and Co < 2 + > coordinate with one another to obtain a three-dimensional pore channel structure with double interspersing, the complex has the capacity of separating a C2H2 / CO2 binary mixture, and the preparation method provided by the invention is simple in synthesis process, green and efficient.

The invention discloses a molecular fragment library based on protein binding site properties and a construction method and application thereof, and belongs to the field of computer-aided drug design. The construction method comprises the following steps: acquiring three-dimensional structure data of a protein-ligand compound, and preprocessing to obtain standardized protein binding sites and ligand molecules; cutting the standardized ligand molecules by adopting an iterative molecular cutting algorithm to generate molecular fragments; identifying and quantifying an interaction between the molecular fragment and an amino acid residue in the normalized protein binding site; and associating the molecular fragments, the information of the amino acid residues interacting with the molecular fragments and the corresponding interaction modes, and constructing a molecular fragment library. The interaction mode of molecular fragments and specific amino acid residues is labeled, so that the targeting property of the fragment library is improved; and the candidate fragments with specific interaction potential can be quickly positioned, so that the drug design efficiency is improved.

The present invention discloses a photoluminescence-resonance light scattering dual-mode detection kit, which comprises: quantum dots, gold nanoparticles, gold nanostars or gold nanorods, an amino-modified aptamer molecule solution, and a thiol-modified aptamer molecule solution; a photoluminescence-resonance light scattering dual-mode biological detection system, which comprises: 1) co-incubating the quantum dots with the amino-modified aptamer molecule solution; 2) co-incubating the gold nanoparticles, gold nanostars or gold nanorods with the thiol-modified aptamer molecule solution; 3) mixing after incubation, and using photoluminescence-resonance light scattering dual-mode detection. Results show that the detection system has good sensitivity and reliability for detecting relevant biomarkers.

The present invention addresses the problem of providing a novel method for increasing bone differentiation induction efficiency based on immobilized BMP-2.　Provided is a method for stimulating a cell with a ligand molecule, the method including a stimulation step for applying a physical stimulus to the cell and / or the ligand molecule. The ligand molecule binds to or interacts with a receptor protein expressed on the cell, and is immobilized on a culture substrate and / or a matrix molecule used for culturing the cell. The receptor protein mediates the transmission of an extracellular signal to the cell on the basis of binding to the ligand molecule, and the extracellular signal is enhanced by the physical stimulus.

This invention discloses an EGCG supramolecular compound with antioxidant, liver-protective, and fat-reducing effects, its preparation method, and composition. The supramolecular compound is formed by non-covalent bonding between epigallocatechin gallate (EGCG) and ligand molecules containing trimethylamine and carboxyl groups; the supramolecular compound has a co-amorphous structure; the ligand molecules containing trimethylamine and carboxyl groups are betaine, ergothioneine, or L-carnitine. This invention can solve the problems of low stability and bioavailability of EGCG. It can significantly improve the solubility of EGCG and its ligands, including betaine, L-carnitine, and ergothioneine, reduce the hygroscopicity of EGCG and its ligands, including betaine, L-carnitine, and ergothioneine, and enhance the stability and bioavailability of EGCG and its ligands, including betaine, L-carnitine, and ergothioneine.

The invention provides a method for inhibiting the efficiency roll-off of a quantum dot light-emitting diode, and the method comprises the following steps: coating or depositing a quantum dot solution on an electron transport layer or a hole transport layer to prepare an LED, and enabling quantum dots to form a single-layer film structure; ligand molecules are arranged on the surfaces of the quantum dots; the distance between at least two quantum dots in the quantum dot LED with the single-layer film structure is d, and d is greater than the sum of the maximum lengths of two ligand molecules. The efficiency roll-off of the quantum dot light-emitting diode can be inhibited.

The invention discloses a novel nuclear magnetic resonance contrast agent Gd-DOTA-PP for targeting citrullinated histone to achieve neutrophil extracellular trap net imaging and a preparation method and application thereof.The method comprises the steps that citrullinated histone targeting polypeptide PP and ligand molecules DOTA-NHS are combined, and a compound DOTA-PP is obtained; and then gadolinium (Gd) ions are introduced into the DOTA-PP through a coordination reaction, and the novel contrast agent Gd-DOTA-PP is prepared. The contrast agent can be selectively combined with an important marker, namely citrullinated histone, of neutrophil extracellular trapping nets (NETs), and T1 weighted imaging signals of a target area are remarkably enhanced. The preparation method is simple and convenient to operate, the preparation process is highly controllable, and the obtained contrast agent has excellent biocompatibility and targeting characteristic. The accurate targeting ability of the probe enables the influence signal of the probe in NETs enrichment areas such as tumor early metastasis, tumor infiltration lymph nodes and the like to be obviously enhanced, a powerful tool is provided for tumor diagnosis, especially accurate diagnosis of the early metastasis, and the probe has important clinical application value.

The invention belongs to the technical field of fluorescence sensing, and particularly relates to a zinc-based coordination polymer based on a heterocyclic ligand and a preparation method and application thereof. The method comprises the following steps: dissolving 3, 7-dibromo-10H-phenothiazine, pyridine-4-boric acid and K2CO3 in a mixed solution of DMF (Dimethyl Formamide) and H2O, uniformly stirring, then adding tetrakis (triphenylphosphine) palladium, carrying out a heating reflux reaction under protective gas, removing a solvent after the reaction is finished, separating impurities, and purifying to obtain 3, 7-bis (4-pyridyl) phenothiazine; the preparation method comprises the following steps: preparing a heterocyclic ligand, dissolving the heterocyclic ligand and zinc nitrate hexahydrate in a mixed solution of DMF and H2O, uniformly stirring, heating to react, and washing and drying after the reaction is finished to obtain the zinc-based coordination polymer based on the heterocyclic ligand. According to the present invention, by using the butterfly conformation and electron donating effect of the ligand molecule 3, 7-bis (4-pyridyl) phenothiazine and the coordination binding capacity synergistic effect of pyridine, the ligand molecule 3, 7-bis (4-pyridyl) phenothiazine is coordinated with zinc ions to construct the novel material with excellent luminescence property;

The invention belongs to the technical field of molecular biology and drug screening, and provides a screening method of capsaicin targeting SOCS5-RBMX protein interaction and application of the capsaicin, an SOCS5-RBMX protein complex structure is analyzed, and SOCS5-RBMX binding structural domains and SOCS5-RBMX binding key sites are determined; the effect of inhibiting protein binding is verified through point mutation of the key sites; determining a binding pocket, taking a drug in the ZINC22 small molecule drug database and a drug approved by FDA as ligand molecules, and taking the binding pocket as a docking region for virtual screening to obtain a compound; the obtained compound is screened through AMDET, and the screened medicine for inhibiting SOCS5-RBMX binding is capsaicin; capsaicin is used for carrying out in-vivo and in-vitro experiments for further screening verification; according to the method, the structure of the SOCS5-RBMX protein complex is analyzed, the binding structural domain and the key site are determined, virtual screening and experimental verification are carried out on the basis of the binding structural domain and the key site, the medicine for inhibiting SOCS5-RBMX binding can be accurately screened out, and the accuracy and efficiency of medicine screening are improved.