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302 results about "Ligand molecule" patented technology

In biochemistry, a ligand is any molecule or atom which binds reversibly to a protein. A ligand can be an individual atom or ion.

Symmetrical difunctional coupling agent and coupled molecular imaging agents thereof

InactiveCN102391168ASolve coupling problemsSolving Difficult-to-Separate PuzzlesIn-vivo radioactive preparationsHybrid peptidesPharmacophoreGastrin-releasing peptide receptor
The invention provides a symmetrical difunctional coupling agent compound (I), i.e. N-fluorenylmethyloxycarbonyl-L-beta-glutamate-di-N-succinimide (Fmoc-beta-Glu(OSu)-OSu), and a production method thereof. Based on the compound, a series of novel coupling compounds which respectively contain a symmetrical difunctional coupling base, i.e. beta-Glu (beta-glutamate) are prepared through being coupled to ligand molecules; the structural formula of the series of coupling compounds is shown as (II), wherein M1 is a -NH2-contained ligand of a target molecule T1, M2 is a -NH2-contained ligand of a target molecule T2, L is a linking group, and S is a report signal group. The compound (1) provided by the invention has been used in coupling a targeted integrin alphavbeta3 receptor ligands, gastrin-releasing peptide receptor ligands, telomerase inhibitor pharmacophores and epidermal growth factor receptor ligands, and thus, a plurality of coupled bi-ligand molecular imaging agents and coupled tri-ligand molecular imaging agents are synthesized. The invention further relates to the use of the compound (I) and the series of novel coupling compounds (II) in the preparation of imaging agent drugs.
Owner:THE FIRST AFFILIATED HOSPITAL OF SUN YAT SEN UNIV

Method for predicting binding free energy of protein and ligand based on progressive neural network

The invention discloses a method for predicting the binding free energy of protein and ligand based on a progressive neural network, and belongs to the technical field of computer-aided drug design. The method comprises the steps: obtaining a pdb file from a PDBbind database, establishing local database, acquiring an amino acid molecule within 4.5 angstroms in the protein binding pocket by takingthe ligand molecule as a center, performing extended connectivity fingerprint calculation, carrying out SPLIF fingerprint calculation, searching for the number of salt bridges and hydrogen bonds between protein and ligand molecules, converting the structural information of the protein and the ligand into a one-dimensional tensor, and establishing a training set, a verification set and a test set;training the progressive neural network by using the training set; optimizing and searching hyper-parameters for prediction; through comparison with a molecular docking result, obtaining a higher Pearson correlation coefficient. According to the invention, the technical problem of how to convert a three-dimensional structure of protein and ligand molecules into tensors which are easy to calculateby a computer and input the tensors into the progressive neural network for training and optimization is solved, and the calculation rate and the prediction accuracy are greatly improved.
Owner:JIANGSU UNIV OF TECH

Method for detecting fungaltoxin through multiple signals and kit

ActiveCN107271668ARich identification methodsRich Signal TransformationBiological material analysisBiological testingFluorescenceUltraviolet
The invention discloses a method for detecting fungaltoxin through multiple signals. The method comprises the following steps: 1) combining fungaltoxin with aptamer: adding a to-be-detected sample after the reaction of the fungaltoxin aptamer and complementary sequence thereof, thereby acquiring a mixed solution A; 2) amplifying a digestion auxiliary signal: reacting the mixed solution A with restriction enzyme, thereby acquiring a mixed solution B; 3) preparing a guanine tetramer structure: reacting the mixed solution B with tail-end deoxynucleotide transferase and deoxyribonucleoside triphosphate and reacting with ligand molecules, thereby acquiring a mixed solution C; and 4) detecting and analyzing: performing catalytic oxidation reaction on the mixed solution C and different substrates, generating ultraviolet, fluorescent and chemiluminescent signals and calculating the content of fungaltoxin in the to-be-detected sample according to the relation of the response strength of all the signals and the fungaltoxin concentration. The method disclosed by the invention has the characteristics of quick and simple operation and treatment, short detection time, marker-free effect, low cost, high precision, high sensitivity, and the like.
Owner:ACAD OF NAT FOOD & STRATEGIC RESERVES ADMINISTRATION

NMR nuclear magnetic resonance method for high flux medicine screening

The invention discloses an NMR nuclear magnetic resonance method for high flux medicine screening. The method includes the following steps: a, preparing mixed water solution containing target biomacromolecules and to-be-screened medicine, and adding the target biomacromolecules and to-be-screened molecules in the water solution and uniformly mixing the biomacromolecules and the to-be-screened molecules as well as the water solution; b, filling the mixed solution in an NMR sample tube, placing the sample tube in a spectrometer, and selectively detecting signals of ligand molecules combined with the target protein, wherein the selective detection includes the steps that firstly, building the selective disturbance for water serving as the resolvent based on the radiation damping effect, secondly, performing the operation based on the effects such as exchange and polarization transfer, and thirdly, exciting the built signals, and selectively detecting the protein and the ligand molecules of the protein, wherein the operation includes two pulse modular units, namely, a signal building module and a detection module; and c, completing the molecule confirmation. The method is simple and convenient to operate and feasible, has high accuracy and sensitivity in experiment detection, and effectively improves the accuracy and efficiency in medicine screening.
Owner:INNOVATION ACAD FOR PRECISION MEASUREMENT SCI & TECH CAS

KIR and ligand genetic typing experimental method

The invention discloses a KIR and ligand genetic typing experimental method. By the technology, the time and labor are saved, and meanwhile, DNA sample capacity is further saved. A multi-PCR technology is adopted, meanwhile, 36 pairs of primers are further combined according to the sizes of PCR products, and finally, amplified reaction is finished in 12 reaction holes. The KIR and ligand genetic typing experimental method is conveniently applied to amplification of 96 pore plates, conventional Taq enzyme is used, typing of all KIR genes and ligands thereof can be finished at a time under the same reaction conditions, and the practicality of the KIR and ligand genetic typing experimental method is greatly improved. Two pairs of primers are used for a KIR gene, the accuracy is improved, anda false negative result is avoided. The KIR gene can be combined to MHC-I type ligand molecules on the surfaces of targeting cells, inhibiting or activating signals are transmitted to regulate the activity of NK cells and T cells, and the KIR and ligand genetic typing experimental method plays an important regulation role in hematopoietic stem cell transplantation, feto-matemal tolerance, anti-infectious immunity, tumor immunity and autoimmune diseases. Therefore, KIR genetic typing facilitates understanding of influences of KIR to tumor immunity, hematopoietic stem cell transplantation and autoimmune diseases.
Owner:韩瑜

Methods for searching stable docking models of biopolymer-ligand molecule complex

Methods for searching stable docking models of biopolymer-ligand molecule complex, which comprise the steps of: (1) searching possible hydrogen-bond schemes between a biopolymer and a ligand molecule by preparing possible combination sets of hydrogen-bonding heteroatoms in the ligand molecule with dummy atoms located at the positions of heteroatoms that can be hydrogen-bond partners to hydrogen-bonding functional groups in the biopolymer; (2) estimating the possible the hydrogen-bond schemes between the biopolymer and ligand molecule and the possible conformations of a hydrogen-bonding part of the ligand molecule at the same time by comparing the distances between the dummy atoms with the distances between the hydrogen-bonding heteroatoms; and (3) obtaining the possible docking models of the biopolymer-ligand molecule complex by changing the coordinates of all atoms of the ligand molecule into the coordinate system of the biopolymer, according to the correspondences between the hydrogen-bonding heteroatoms in the ligand molecule and the dummy atoms in combination sets for each of the hydrogen-bond schemes and conformations obtained in the second step are provided. According to the methods of the present invention, the structures of stable biopolymer-ligand molecule complex can be searched efficiently and precisely in a short time.
Owner:INST OF MEDICINAL MOLECULAR DESIGN INC 50
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