Computer coding method for double-stranded nucleotides of DNA coding compound library

Abstract

The invention relates to a computer coding method for double-stranded nucleotides of a DNA coding compound library and different combinations of nucleotide double-stranded sets obtained by the method.The computer coding method comprises the steps of performing computer coding on coding regions of the double-stranded nucleotides, performing computer coding on pairing regions of the double-strandednucleotides, combining the coding regions and the pairing regions of the double-stranded nucleotides to obtain double-stranded nucleotides having protrusions at the 5' or 3' ends, screening the combined nucleotide double-stranded sets, and modifying and linking both ends of n cycle of nucleotide double-stranded sets. The method is a computer coding method for constructing the DNA coding compoundlibrary, which is highly efficient, simple in operation and capable of rapidly obtaining a sufficient number of partial base sequence complementary pairings and having protrusion base sequences, and has a wide range of application prospects in constructing the DNA coding compound library.

Description

technical field [0001] The invention belongs to the field of computer coding, and relates to a method of arranging and combining DNA base sequences through a computer coding method, and filtering these base sequences through certain filtering rules to obtain a set of two parts of base sequences, and a part of base sequences The sequence set is used as the coding region, and the other part of the base sequence set is used as the pairing region. After the two parts of the base sequence set are combined according to certain rules, they are screened again according to certain filtering rules to obtain the core that can be used to construct a DNA-encoded compound library. A collection of double-stranded nucleotides. Background technique [0002] Hit compounds are compounds with certain biological activity and chemical structure obtained through various ways, which can be used for further structural modification and modification to improve their biological activity, selectivity, a...

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Problems solved by technology

[0007] GSK's literature (Nat.Chem.Biol., 2009, 5(9), 647-54) and related patents (CN101864412A, EP2368868A1) also show in detail some of the nucleotide double-stranded sequences they use to label specific fragment compounds, However, the coding method and method of the specific nucleotide duplex are only slightly mentioned in the patent (EP2441757A1). The base sequences are all 5' phosphorylated, have a constant GC content, and have no palindromic sequence and homology dimer

In 2015, Brian M. Paegel of the Scripps Institute et al. (references: ACS Comb. Sci. 2015, 17, 518-534) described in detail a coding method for an oligonucleotide duplex, but their limitations and requirements make The final oligonucleotide double strands of 11 base pairs (basepair, bp for short) are less than 80, which severely limits the number of small molecules in the DNA-encoded compound library, and is far from meeting the industrial production of the DNA-encoded compound library. In addition, the filter conditions set did not take into account the difference in the polymerase chain reaction of the entire DNA chain after these oligonucleotide chains were linked, nor did they consider the differences of these oligonucleotide chains during the library construction process. Influence on the detection of the success or failure of the fragment compound reaction

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