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2 results about "Dissociation rate" patented technology
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The dissociation rate in chemistry, biochemistry, and pharmacology is the rate or speed at which a ligand dissociates from a protein, for instance, a receptor. It is an important factor in the binding affinity and intrinsic activity (efficacy) of a ligand at a receptor. The dissociation rate for a particular substrate can be applied to enzyme kinetics, including the Michaelis-Menten model. Substrate dissociation rate contributes to how large or small the enzyme velocity will be. In the Michaelis-Menten model, the enzyme binds to the substrate yielding an enzyme substrate complex, which can either go backwards by dissociating or go forward by forming a product. The dissociation rate constant is defined using Koff.
Spark-seq high-throughput platform for identification and kinetics analysis of nucleic acid aptamers and target proteins thereof
The present invention provides a SPARK-seq high-throughput platform for the identification and kinetics analysis of nucleic acid aptamers and target proteins thereof. By combining cell screening, CRISPR gene perturbation and single-cell multi-omics sequencing technology, the platform enables systematic identification of the interaction between thousands of nucleic acid aptamers and target proteins thereof in a single experiment; in addition, high-throughput screening of high-stability nucleic acid aptamers having "slow dissociation" characteristics is achieved on the basis of dissociation kinetics. The method provided by the present invention overcomes the limitations of the traditional technology of low throughput, difficulty in identifying targets having relatively low abundance, and inability to perform efficiently screening in natural cell environments, not only achieves large-scale and unbiased discovery of aptamer targets, but also can accurately screen high-stability aptamers having slow dissociation rates, providing more powerful molecular tools and new biomarker discovery pathways for tumor diagnosis, targeted therapy, and accurate medical treatment.
Owner:HANGZHOU INSTITUTE OF MEDICAL SCIENCES CHINESE ACADEMY OF SCIENCES
A method and system for predicting ligand-target dissociation kinetics parameters
This application relates to the field of computer-aided drug design technology, and in particular to a method and system for predicting ligand-target dissociation kinetic parameters. The method includes the following steps: constructing and parameterizing a protein-ligand system; applying constraints to the system to maintain structural stability; setting multiple sets of simulation condition pairs; globally scaling the non-bonded interaction potential energy of the system or the force derived from that potential energy under each set of simulation condition pairs; performing molecular dynamics simulations and detecting ligand dissociation events under each set of simulation condition pairs; estimating the dissociation rate under each simulation condition pair; and extrapolating to the target condition based on the relationship between the dissociation rate and a unified extrapolation independent variable to obtain the dissociation rate and residence time under the target condition. This invention solves the problem in existing technologies where it is difficult to reliably obtain the dissociation rate of ligands and corresponding target receptors at an affordable computational cost, and it also features controllable parameters and ease of parallelization.
Owner:LINGNAN INST OF TECH