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

A coding method and nucleotide single-strand technology, applied in chemical libraries, calculations, combinatorial chemistry, etc., can solve the problem of not considering differences, limiting the number of small molecules, not considering the impact of fragment compound reaction success or not, etc. question

Active Publication Date: 2018-04-24
上海药明康德新药开发有限公司
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  • Abstract
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  • Claims
  • Application Information

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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 r

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

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Embodiment 1

[0087] Example 1, the computer coding method for a nucleotide double-strand with a Hamming distance of 9 bp and a Hamming distance greater than or equal to 4 in the coding region at the 3' end of the single-strand with both protruding base sequences

[0088] 1. Computer coding method for nucleotide double strands with 9 bp coding region and Hamming distance greater than or equal to 4

[0089] This encoding uses software shell and Python language, but if the base sequence of the specific nucleotide double-strand obtained by using a similar encoding method is completely identical to the base sequence of the present invention by using other similar software, it should be understood as Within the scope of patent protection of the present invention.

[0090] The specific code is as follows:

[0091]

[0092]

[0093]

[0094] A total of 632 pairs of specific base sequences were obtained in the nucleotide double strands with a Hamming distance greater than or equal to 4. ...

Embodiment 2

[0136] Example 2, two 6-base overhangs are all at the 3' end of the single strand, the coding region is 6bp and the Hamming distance is greater than or equal to 4 nucleotide double-stranded computer coding method

[0137] 1. Computer coding method for nucleotide duplexes with a coding region of 6 bp and a Hamming distance greater than or equal to 4

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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...

Claims

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Application Information

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IPC IPC(8): G06F19/22C40B50/06
CPCC40B50/06G16B30/00
Inventor 吴阿亮崔维任张在红陈雯婷李科邢莉杨洪芳彭宣嘉
Owner 上海药明康德新药开发有限公司
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