19 results about "Molecular screening" patented technology

The invention relates to the technical field of graded screening, in particular to a graded screening system based on staggered stacked metal ring films and a preparation method and application. An organic ligand and two metal complexes are subjected to interface coordination assembly under the action of silver ions, an ordered staggered stacked metal ring film is constructed, the structure and performance of the metal ring film are precisely regulated and controlled, the metal ring film has a definite molecular sieve component difference, and then precise grading screening of different molecules is achieved. The film has an obvious lattice structure, has good crystalline orderliness, and can ensure the stability and reliability of the screening process. The graded screening system based on the staggered stacked metal ring membranes has excellent interception performance on target molecules, and effective separation of TAC from glucan and leucine can be achieved. The two-stage membrane classification screening strategy can also be popularized to separation and purification of other substances, and good universality and industrial application prospects are achieved.

Described herein are methods and systems for proposing coordination framework compounds, such as crystalline porous materials, crystalline open frameworks, network chemical compounds, metal-organic framework (MOF) compounds, covalent organic framework (COF) compounds, zeolitic imidazole framework (ZIF) compounds, and combinations thereof. Also described herein are coordination frame compounds produced by these methods and systems and adsorbent systems comprising these coordination frame compounds. The methods and systems described herein combine machine learning and chemistry to propose chemically effective and improved performance coordination framework compounds that meet the different objectives of material discovery.

The invention belongs to the technical field of biological medicines, and particularly relates to application of an angiotensin II receptor antagonist in preparation of a medicine for preventing and treating renal tubular injury caused by triptolide. According to the invention, the upstream key target protein of the TPL-induced renal tubule injury is determined to be HSPA1 through experiments for the first time, and the problem that the key target spot of TPL toxicity is not determined in the prior art is solved. Based on a key target spot of TPL toxicity, through molecular screening and parallel pharmacodynamic verification on various sartan drugs such as irbesartan, losartan, olmesartan and valsartan, it is determined that the angiotensin II receptor antagonist has a general protection effect on TPL toxicity. Wherein the protective efficacy of irbesartan as a preferable embodiment is obviously superior to that of losartan of the same kind (the efficiency slope is 2.451 to 1.584).

The present invention discloses a method for detecting halogenated organic substances in a landfill leachate and water bodies polluted with the leachate, by a combined solid phase extraction method comprising HLB solid phase extraction and PPL solid phase extraction, acidifying the sample using formic acid, and subjecting the aqueous sample to solid phase extraction enrichment using an HLB solid phase extraction column and a PPL solid phase extraction column, respectively, elution with methanol, the enriched samples are then subjected to FT-ICR MS detection, performing molecular formula matching of organic molecules, molecular screening, molecular information summarization and statistical analysis of data of samples separately on two FT-ICR MS detection data, collecting the two together gives all dissolvable halogenated organic compounds (HOCs) in samples of water, halo-organic species are then visualized by Sankey diagrams.

The invention relates to the technical field of animal husbandry genetic breeding, in particular to an SNP (Single Nucleotide Polymorphism) molecular marker and a primer pair related to the strength of an egg shell of white coming aviation and application of the SNP molecular marker and the primer pair. Compared with the prior art, the white leghorns with the ultra-long egg producing period are subjected to whole genome association analysis, SNP sites related to the eggshell strength character are screened out, then the SNP sites rs733980419 which reach the whole genome significant level at the age of 60 weeks are screened out through single-site GWAS analysis, the SNP molecular marker is developed on the basis of the screened SNP sites, and the SNP molecular marker has the advantages that the SNP sites related to the eggshell strength character are obtained; experiments prove that the SNP molecular marker is closely related to the eggshell strength, early molecular screening is realized, and the breeding efficiency is improved. Experiments prove that the SNP molecular marker and the primer pair provided by the invention can be used for early identification or screening of eggshell strength traits of chicken flocks and auxiliary breeding of chicken strains with high eggshell strength traits, and the eggshell breakage rate in the later period is reduced.

The invention relates to the technical field of drug research and development and artificial intelligence crossing, and particularly discloses an intelligent drug research and development molecular screening method. The method comprises the following steps: constructing a bipartite interaction diagram of candidate molecules and target protein; for each interaction edge in the graph, generating a dynamic interaction feature representing the specific molecule-target pair potential binding mode in real time through an interaction attention module as an edge feature; a graph neural network is used for multi-round message passing, dynamic interaction features are iteratively refreshed according to updated node features, and collaborative optimization of node and edge features is achieved; and finally, calculating a prediction score based on the optimized edge features and node features to complete screening. According to the method, interaction characteristics are dynamically generated and iteratively optimized, so that the dynamic process of molecule-target combination is effectively simulated, and the applicability and the screening accuracy of targets with incomplete structural information are improved.

This invention discloses a method for heavy ion beam mutagenesis breeding of poultry. To address the challenges of efficient, rapid, and safe breeding in poultry, this method utilizes heavy ion beam irradiation of poultry progenitor cells (PGCs) to induce radiation mutagenesis, constructing a mutant cell library. The PGCs in this library are then isolated into single cells to form monoclonal populations. Targeted deep sequencing is used to screen for positive PGCs with gene mutations from the S2-after monoclonal population, and the mutated gene is preliminarily identified. Positive PGCs are injected via microinjection into recipient embryos after their own PGCs have been ablated, resulting in chimeras. Individuals developed from these chimeras undergo molecular screening and identification. M1 generation individuals containing the identified mutated gene are then used for breeding to obtain offspring strains that stably inherit the mutated gene. This method is efficient, rapid, safe, and avoids the ethical and regulatory risks associated with gene editing technologies, making it of significant application value for mutagenesis breeding in poultry.

The application discloses a method for increasing drought adaptability of plant osmotic regulation substance accumulation, and belongs to the field of plant genetic engineering and drought-resistant molecular breeding. First, a plant to be transformed is combined with 13C-glutamic acid and 15N-choline double isotope labels to quantize carbon and nitrogen flow redistribution of proline synthesis pathways and glycine betaine synthesis pathways in leaf cells and vascular bundle companion cells, and to identify rate-limiting enzyme nodes. Second, a multi-cistronic plant expression vector is constructed. A first expression box is driven by a leaf-specific promoter and a drought response cis-element composite promoter to drive P5CS. A second expression box is driven by a companion cell-specific promoter and a drought response cis-element composite promoter to drive BADH. Positive transformants are obtained through Agrobacterium mediation or gene gun transformation and molecular screening. The expression quantity of the positive transformants is increased by 5 to 50 times under stress and falls back to a baseline within 72 hours of rehydration. Root activity is significantly improved, and yield is preserved.

The application provides a molecular strain energy calculation method, a molecular screening method and related devices. The calculation method comprises the following steps: determining all rotatable dihedral angles of a target molecule based on an initial conformation of the target molecule; performing one-dimensional scanning on each rotatable dihedral angle to obtain a one-dimensional potential energy surface conformation set corresponding to each rotatable dihedral angle; calculating a first energy value of each first conformation in each one-dimensional potential energy surface conformation set to determine a first conformation set corresponding to a local energy minimum point in each one-dimensional potential energy surface conformation set; generating a pseudo two-dimensional scanning conformation set according to the first conformation sets; calculating a second energy value of each pseudo two-dimensional scanning conformation; determining a global energy minimum target conformation in the first conformation sets and the pseudo two-dimensional scanning conformation set according to the first energy value and the second energy value; and determining the strain energy of the target molecule based on an initial energy value of the initial conformation and a target energy value of the target conformation. The application improves the calculation efficiency of the strain energy.

The invention relates to a method for screening an interleukin-8 antagonist and a drug application of the interleukin-8 antagonist, and the method for screening the interleukin-8 antagonist comprises the following steps: S1, customizing a specific interleukin-8 as a target, and customizing an FDA drug library as a drug molecule library for later use; s2, performing high-throughput molecular screening in a drug molecule library by using the target, and screening specific drug molecules capable of being combined with the target from the drug molecule library; and S3, detecting the antagonism effect of the specific drug molecule on the target, and performing target antagonism agent-effect evaluation on the specific drug molecule.

This invention discloses a heavy ion mutagenesis breeding method for fish, belonging to the field of fish breeding technology. To address the technical problem of how to efficiently apply mutagenesis breeding technology in fish genetic improvement, this method first breeds the target fish species to obtain fertilized eggs in the single-cell stage; then, it uses a heavy ion beam to induce mutagenesis in the single-cell stage fertilized eggs, hatches and raises the mutagenized eggs to obtain an M1 generation population; next, it performs molecular screening to identify M1 generation individuals carrying one or more gene mutations; finally, it uses breeding methods to obtain offspring strains that can stably inherit the stated gene mutations. This invention shortens the breeding cycle from several generations to as short as 1-2 generations, significantly improving screening efficiency and providing an efficient, precise, and universally applicable pathway for rapidly creating new germplasm and strains of various fish species.

The application provides a SNP molecular marker related to a Nocardia seriolae resistance trait of Epinephelus akaara, a method for screening the Nocardia seriolae resistance Epinephelus akaara and application, and specifically belongs to the field of aquatic organism technology. The application provides a SNP molecular marker related to a Nocardia seriolae resistance trait of Epinephelus akaara, wherein the nucleotide sequence of the SNP molecular marker is shown in SEQ ID NO. 1, the base at the 760th position of the sequence shown in SEQ ID NO. 1 is a SNP site, and the base is A or G; when the SNP molecular marker is an AA genotype, it is determined that the Epinephelus akaara is resistant to Nocardia seriolae. The SNP molecular marker provided by the application is an effective SNP marker for early molecular screening of the Nocardia seriolae resistance trait of Epinephelus akaara, can realize disease resistance breeding of Epinephelus akaara, and obtain Epinephelus akaara resistant to Nocardia seriolae.

The invention relates to a screening method and application of a longleaf menthone interleukin-8 antagonist. The screening method of the longleaf menthone interleukin-8 antagonist comprises the following steps: S1, customizing a drug molecule library, and customizing interleukin-8 as a target; s2, performing high-throughput molecular screening in a drug molecule library by using a target, and screening drug molecules capable of being combined with the interleukin-8 target from the drug molecule library; and S3, carrying out in-vitro antagonistic activity verification on the drug molecules screened in the step S2 so as to detect the antagonistic effect of the specific drug molecules on the target effect, and carrying out agent-effect evaluation of the specific drug molecules on the antagonistic interleukin-8.

The invention discloses a molecule generation method and device based on a generative adversarial network, equipment, a medium and a product, and relates to the technical field of computational chemistry and batteries. The method comprises the following steps: constructing a molecule database by adopting a matrix engineering method according to atom types and quantity required by target molecules; converting a molecular structure corresponding to the candidate molecular set in the molecular database into a graph structure to obtain a molecular graph database; inputting the molecular graph database into the trained generative adversarial network, and performing molecule generation and decoding to obtain newly generated molecules; based on a preset screening rule, performing molecular screening on the newly generated molecules to obtain screened qualified molecules; converting the screened qualified molecules into three-dimensional structures to obtain three-dimensional molecules; the three-dimensional molecules are used for computational simulation and experimental verification to provide a reference basis for electrolyte design and optimization. According to the invention, molecule generation and screening can be efficiently realized.

The invention relates to the technical field of biological detection, in particular to a cell extract active component recognition system which comprises a sample processing module, an active component screening module, an action mechanism analysis module, a task allocation module and a process regulation and control module. According to the method, bioactive substance distribution information acquisition and component correlation analysis are introduced, key active components in the cell extract are accurately extracted and recognized, the separation and screening process is optimized, the active component screening efficiency is improved, logic is adjusted based on the molecular screening model and the concentration range, and the screening efficiency is improved. The execution efficiency and accuracy of a screening framework are effectively optimized, efficient screening is achieved, the comprehensive analysis ability of action paths and associations among the components is enhanced, intelligent task allocation and scheduling management are combined, resource occupation is reduced, the task execution efficiency is improved, and it is ensured that the active component recognition process is smoothly carried out; the application effect of a biological detection technology in drug development and other related fields is improved.

The present application relates to the technical field of grading screening, and particularly relates to a grading screening system based on a misaligned stacked metal ring membrane, a preparation method and application. Through interface coordination assembly of organic ligands and two kinds of metal complexes under the action of silver ions, an ordered misaligned stacked metal ring membrane is constructed, the structure and performance of the metal ring membrane are precisely controlled, the metal ring membrane has clear molecular screening differences, and then precise grading screening of different molecules is realized. The membrane has obvious lattice structure, good crystalline order, and can ensure the stability and reliability of the screening process. The grading screening system based on the misaligned stacked metal ring membrane has excellent interception performance for target molecules, and can realize effective separation of TAC, dextran and leucine. The two-stage membrane grading screening strategy can also be extended to the separation and purification of other substances, and has good universality and industrial application prospect.

The invention discloses an optimization method for molecular similarity identification of high-throughput screening compounds. The optimization method comprises two stages of fingerprint pre-calculation and index creation, and molecular screening acceleration. In the fingerprint pre-calculation and index creation stage, Morga fingerprints and Popcount are calculated according to SMILES codes of target molecules, a target database is constructed to store a pre-calculation result, and a single-index accelerated screening record is created for a Popcount column; in a molecular sieve searching acceleration stage, Morga fingerprints and Popcount of searching molecules are calculated, targets are screened from a target database according to the Popcount of the searching molecules, Tanimoto similarity is calculated together with the fingerprints of the searching molecules, descending sorting is carried out according to the similarity, and the first N fingerprints are taken as similarity recognition results. The optimization method is stable in screening efficiency and high in similarity calculation effectiveness, and limited resources can be used in an effective target range after filtering.

The application discloses a SNP marker and a KASP primer group for detecting the resistance of tobacco wild fire bacteria No. 0 physiological race and application thereof. The application discloses a SNP marker for detecting the resistance of tobacco wild fire bacteria No. 0 physiological race, wherein the SNP marker is located at the position of 111102247 of chromosome No. 22 of a tobacco genome, and the nucleotide type is A or G. The application further discloses a KASP primer group for detecting the SNP marker and application thereof. The SNP marker of the application is a long-flower tobacco resistance site, and 80%-90% of non-target materials can be eliminated through seedling stage molecular screening in the breeding process, so that the labor and material costs of field management and phenotype identification are significantly reduced, and the SNP marker has a wide application prospect.

The invention relates to drug application of trigonelline and a screening method of trigonelline, and an interleukin-8 antagonist is obtained through the following screening method: S1, customizing specific interleukin-8 as a target, and customizing an FDA drug library as a drug molecule library for later use; s2, performing high-throughput molecular screening in a drug molecule library by using the target, and screening specific drug molecules capable of being combined with the target from the drug molecule library; and S3, detecting the antagonism effect of the specific drug molecule on the target, and performing target antagonism agent-effect evaluation on the specific drug molecule.