9 results about "Molecular evolution" patented technology

The embodiment of the invention is to conformationally constrain neutralizing B cell epitopes of CoV-2, CoV-n B cell epitopes of the open reading frame proteins, including the membrane S protein, constrained by protein scaffolds, including camelid VHH nanobody in order to elicit neutralizing and blocking antibodies against viral infection. B cell epitopes are molecularly evolved by ribosome display to preempt emerging viral B cell epitopes. Moreover, CTL epitopes are designed from the open reading frame protein for eliciting cell mediated viral protection. Furthermore, mRNA vaccines are prepared for eliciting protective immunity and prevent cytokine storms.

The application discloses a DNA polymerase mutant and a preparation method and application thereof. The amino acid sequence of the DNA polymerase mutant comprises a sequence shown in SEQ ID NO. 1. In the application, a Tli DNA polymerase derived from Thermococcus litoralis is genetically reformed by using a molecular evolution technology, enzyme activity is improved, the DNA polymerase is more suitable for amplification of a difficult sequence, and high fidelity is achieved. When ITR structure is amplified, a band is single, and a sequence amplified almost has no deletion or mutation. When a high-GC or complex-structure fragment is amplified, a band is single, and a recovery concentration is high. When PCR amplification is performed, extension time is short, extension speed can reach 1 sec / kb, and the amplification efficiency of a long fragment is high, so the DNA polymerase has a wide application prospect.

The application provides a reaction runaway micro-characterization method, a characterization device and a characterization system. The micro-characterization method comprises the following steps: constructing a closed space three-dimensional molecular model of a reaction system; performing reaction runaway simulation calculation on the closed space three-dimensional molecular model by using reaction force field parameters to obtain reaction runaway simulation calculation results; detecting the change of the molecular functional groups of reactants in the reaction runaway of the reaction system by using adiabatic calorimetry, and determining characteristic intermediates in the reaction runaway; extracting reaction runaway simulation calculation results matched with the change of the molecular functional groups and the characteristic intermediates to obtain reaction runaway characterization data; and determining the micro-molecular evolution path and secondary decomposition products in the reaction runaway according to the reaction runaway characterization data, so as to micro-characterize the reaction runaway. By the method provided by the application, the micro-molecular evolution path and the secondary decomposition products in the reaction runaway can be obtained, and a new micro-level method for online detection and characterization of the reaction runaway is provided.

The application discloses a method for grading and identifying silkworm germplasm resources. According to genetic differences in molecular evolution among silkworm germplasm resources, a grading and identifying method is established by using preferred specific SSR molecular markers, which can first distinguish different geographical populations, then distinguish germplasm resource groups in the same geographical population, and finally distinguish all silkworm germplasm resources in the same germplasm resource group. The method overcomes the problem that the prior art method cannot simultaneously establish specific DNA molecular markers for a large number of germplasm resources, and cannot accurately identify and distinguish specific germplasm resources.

The invention discloses a traditional Chinese medicine prescription effective small molecule identification method fusing EGA and PPO algorithms, and relates to the technical field of traditional Chinese medicine decoction small molecule identification, and the method comprises the following steps: constructing a molecular seed bank containing TPACD known components and phytochemicals with similar structures, simulating material selection, conversion and recombination mechanisms in a traditional Chinese medicine decoction process through EGA, and identifying the effective small molecules in the traditional Chinese medicine decoction process. Three parallel modules of a basic multi-objective genetic algorithm (BMGA), an enhanced multi-objective genetic algorithm (EMGA) and an intelligent multi-objective genetic algorithm (IMGA) are established by combining sequential decision optimization capability of PPO reinforcement learning, and anti-CRC lead molecules with effectiveness, stability and druggability are screened out through molecular evolution, targeted screening, iterative refining and closed-loop feedback. The molecules generated by the invention are obviously superior to the original component of TPACD in drug-likeness, structural stability and anti-CRC activity, the IMGA module has the best comprehensive performance, and an efficient and explainable new strategy is provided for excavation of active components of traditional Chinese medicine compounds.

This invention discloses a method for identifying effective small molecules in traditional Chinese medicine (TCM) prescriptions by integrating EGA and PPO algorithms. It relates to the field of small molecule identification technology for TCM decoctions, and includes constructing a molecular seed library containing known components from TPACD and structurally similar phytochemicals. EGA simulates the selection, transformation, and recombination mechanisms during the TCM decoction process, while PPO leverages the sequential decision-making optimization capabilities of reinforcement learning. Three parallel modules—Basic Multi-Objective Genetic Algorithm (BMGA), Enhanced Multi-Objective Genetic Algorithm (EMGA), and Intelligent Multi-Objective Genetic Algorithm (IMGA)—are built. Through molecular evolution, targeted screening, iterative refinement, and closed-loop feedback, anti-CRC leader molecules with efficacy, stability, and drug-like properties are screened. The molecules generated by this invention significantly outperform the original TPACD components in terms of drug-likeness, structural stability, and anti-CRC activity. The IMGA module shows the best overall performance, providing an efficient and interpretable new strategy for mining active ingredients in TCM compound prescriptions.

The invention belongs to the technical field of biology, and discloses an artificially modified cephalosporin C acylase mutant and application thereof. The mutant is obtained by carrying out molecular evolution on wild-type enzyme through a DNA shuffling technology, the amino acid sequence of the mutant is shown as SEQ ID NO: 1, and compared with the wild-type enzyme, the mutant has remarkably improved catalytic activity and can efficiently catalyze cephalosporin C deamidation to generate 7-aminocephalosporanic acid. The invention also discloses a nucleic acid molecule for coding the acylase, a recombinant vector and a recombinant host cell containing the nucleic acid molecule, and application of the acylase or the recombinant host in production of 7-ACA by using cephalosporin C as a substrate.

The invention relates to the technical field of biology, in particular to a preparation method and application of directed evolution high-stability reverse transcriptase, and the preparation method comprises the following steps: firstly, constructing an element library containing various reverse transcriptase elements; on the basis of computer-aided design, reverse transcriptase carriers with high expression potential and high activity are screened and combined from the constructed slave element library; carrying out directional modification on the preliminarily screened reverse transcriptase vector by utilizing a computer-aided molecular evolution platform; expressing the reverse transcriptase mutant obtained by transformation in a host cell; and finally, purifying the expressed reverse transcriptase by using a protein purification and quality inspection platform to obtain a high-purity enzyme product, so that the technical problem that the reverse transcriptase prepared in the prior art is insufficient in stability, catalytic efficiency, tolerance and the like and the application of the reverse transcriptase under complex experimental conditions is limited is solved.

The invention relates to a molecular evolution optimization algorithm based on a fragment similarity tree, which is used for accelerating discovery and optimization of new drug molecules, and comprises the following steps of: screening molecules with excellent attributes from a public data set to construct an excellent molecule library, decomposing the molecules into a plurality of fragments, and constructing the fragment similarity tree based on valley similarity and Lelwinstein distance; the method comprises the following steps of: performing embedding coding on fragments by using a fragment similarity tree as a search space for molecular optimization, performing variation optimization on the basis of fragment embedding coding by using an evolutionary algorithm in an optimization stage, selecting a parent population by combining a Pareto optimal algorithm and a population crowding sorting method, and guiding molecular variation through a diversity operator and a convergence operator, according to the method, the chemical space is explored, the local structure is optimized, the weights of the two mutation operators are dynamically balanced in the evolution process, the optimization efficiency and effect are improved, the random walk problem can be effectively relieved, the molecule optimization efficiency is improved, and new molecules with better properties are generated.