CN108120710A - It is a kind of that the method for inhibiting Isomers content in cancer cell drug is predicted with density functional theory - Google Patents
It is a kind of that the method for inhibiting Isomers content in cancer cell drug is predicted with density functional theory Download PDFInfo
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Abstract
The invention discloses a kind of preparation methods early period that Isomers content in inhibition cancer cell drug is predicted with density functional theory, 20 40g of sample is weighed to pour into beaker, then hydrochloric acid is added in, it flows back after 1h, with the chloroformic solution of 40mL, extracts in three times, separation, washing, has effectively eliminated impurity, has improved the precision of prediction；Adding in sodium sulphate makes its reaction, and reaction is for 24 hours so that fully reaction occurs for sample, substantially increases the precision of prediction；By, again with other solvent reactions, while impurity is removed, improving the adequacy of sample and other solvent reactions after being repeatedly evaporated, substantially increasing precision of prediction.Therefore this predicts preparation method early period for inhibiting Isomers content in cancer cell drug with density functional theory, and method is reasonable, easy to operate, and precision of prediction is high, is suitble to large-scale promotion.
Description
Technical field
The present invention relates to drugs analysis technical fields more particularly to a kind of predicted with density functional theory to inhibit cancer cell medicine
The method of Isomers content in product.
Background technology
Medically, cancer (cancer) refers to the malignant tumour originating from epithelial tissue, is most common in malignant tumour
It is a kind of.Corresponding, the malignant tumour originating from mesenchymal tissue is referred to as sarcoma.There are a small number of malignant tumours not ordered by mentioned above principle
Name, such as the nephroblastoma, malignant teratoma." cancer " described in general people traditionally refers to all malignant tumours.Cancer
It is more than one with cell differentiation and proliferative disorder, the growth biological properties such as out of hand, wellability and metastatic
The factor, the complex process of multi-step are divided into three carcinogenic, rush cancer, evolution processes, dirty with smoking, infection, occupational exposure, environment
Dye, unreasonable meals, inherent cause are closely related.Although tumor marker lacks specificity, in auxiliary diagnosis and judge pre-
Still there are certain values afterwards etc..Mainly include enzyme labeled compound assay, such as alkaline phosphatase can substantially rise in liver cancer and Patients with Osteosarcoma
It is high；Glycoprotein, as Sera of Lung Cancer ɑ acidoglycoproteins can have rise, digestive system tumor CA19-9 etc. to increase；Tumour is related anti-
Original increases as carcinomebryonic antigen (CEA) may occur in which in gastroenteric tumor, lung cancer, breast cancer；Alpha-fetoprotein (AFP) in liver cancer and
It can increase in malignant teratoma.There are many kinds of malignant tumours, and property type is different, the tissue that involves and organ are different, stadium
It is different, also different to the reaction of various treatments, therefore most of patient needs to carry out complex treatment.So-called complex treatment is exactly root
According to the physical condition of patient, the histological type of tumour, invade situations such as scope, it is comprehensive using operation, chemotherapy, radiotherapy, immune control
The means such as treatment, traditional Chinese medical herbal treatment, interventional treatment, micro-wave therapeutic to greatly improve cure rate, and improve patient's
Quality of life.Range of tumor is wider, it is existing transfer and the patients with terminal of radical surgery cannot be made, to palliate the agonizing sufferings, maintain battalion
It supports and extending life, cut-out tumour or the operation for mitigating symptom, such as fistulization, alimentary canal short circuit hand can be done some
Art.Late tumor can do the big portion excision of tumour, reduce knurl load, lay the foundation for later Radiotherapy chemotherapy or other treatment.
As advanced ovarian cancer can palliative resction major part ovarian neoplasm, second operation is carried out after chemotherapy, cuts off residual, can be apparent
Extend patient survival.
Nowadays with cancer, somebody's livery medication when many people cause old age due to undesirable habits and customs at an early age
Object inhibits the growth of cancer cell, and glycyrrhizic acid is most important active ingredient in Radix Glycyrrhizae, has apparent antidiuretic activity.Radix Glycyrrhizae
Acid and its series of products, have inhibitory action to sarcoma, growth of cancer cells, are up to 90% to the inhibiting rate of AIDS, have stronger
Increase immune function of human body effect, and be also good food additives and perfumery base.Glycyrrhizic acid is to important organ without bright
Aobvious damage, the how many pairs of inhibition cancer cells of the content of the isomers such as glycyrrhizic acid in cancer cell drug is inhibited, very big effect, but
Traditional prediction inhibits preparation method early period of Isomers content in cancer cell drug, and complicated for operation, precision of prediction is low, therefore
It needs to redesign a kind of method predicted with density functional theory and inhibit Isomers content in cancer cell drug.
The content of the invention
The purpose of the present invention is to solve the shortcomings that in the prior art complicated for operation, precision of prediction is low, and carry
A kind of method that Isomers content in inhibition cancer cell drug is predicted with density functional theory gone out.
To achieve these goals, present invention employs following technical solutions：
It is a kind of that the method for inhibiting Isomers content in cancer cell drug is predicted with density functional theory, it specifically includes following
Step：
S1, acquisition inhibit cancer cell drug sample 50, remove sugar-coat, then it is thin will to inhibit cancer for accurately weighed total weight
Born of the same parents' drug is ground by grinder；
S2 then by sample cross 2mm sieve, it is placed in the vessel spare；
S3, poured by weighing sample 20-40g in beaker, then add in hydrochloric acid, it is molten with the chloroform of 40mL after the 1h that flows back
Liquid extracts in three times, separates, washing；
S4 and then addition sodium sulphate make its reaction, react 22-24h；
S5 and then beaker is evaporated into solvent under vacuum, and add in internal standard compound aristolochic acid；
S6 and then the residue after being evaporated are dissolved in diethyl ether solutions of the 22mL with tosyl-N- nitrosoamides,
Ether concentration is 0.16g/mL；
S7 and then potassium hydroxide solution is added dropwise, is adding in the diethyl ether solution of the diazomethane containing 0.5g, reacting 12h, into
Row methylates；
S8, after the completion of methylating, reactant is evaporated in a vacuum；
S9 and then residue is dissolved in the chloroform of 10mL, is subsequently poured into chromatographic column and shakes up, 300 DEG C of chromatographic column temperature,
Injector examines room temperature to be 320 DEG C, the use of nitrogen is carrier, then gas flow rate 30mL/min is detected by Raman spectrum,
It is predicted by density functional theory and inhibits Isomers content in cancer cell drug.
Preferably, the grinder is TL1000 grinders.
Preferably, the potassium hydroxide solution in the S7 is 0.84g, and the ethanol solution for being 72% with the concentration of 50mL is molten
Solution.
Preferably, the cold boiler is R2005KB cold boilers.
Preferably, the chromatographic column in the S9 is WAWDMXS glass columns.
A kind of method that Isomers content in inhibition cancer cell drug is predicted with density functional theory provided by the invention,
Compared with prior art：It weighs sample 20-40g to pour into beaker, then adds in hydrochloric acid, it is molten with the chloroform of 40mL after the 1h that flows back
Liquid extracts in three times, separates, washing, the impurity eliminated significantly, improves the precision of prediction；Sodium sulphate makes its reaction, reaction
For 24 hours so that fully reaction occurs for sample, substantially increases the precision of prediction；By after being repeatedly evaporated again with other solvent reactions,
While impurity is removed, the adequacy of the reaction of sample other solvents is improved, substantially increases precision of prediction.Therefore the use
Density functional theory prediction inhibits preparation method early period of Isomers content in cancer cell drug, and method is reasonable, easy to operate,
Precision of prediction is high, is suitble to large-scale promotion.
Specific embodiment
In order to make the purpose , technical scheme and advantage of the present invention be clearer, below in conjunction with specific embodiment, to this
Invention is further elaborated.It should be appreciated that the specific embodiments described herein are merely illustrative of the present invention, not
For limiting the present invention.
Embodiment 1
It is a kind of that the method for inhibiting Isomers content in cancer cell drug is predicted with density functional theory, it specifically includes following
Step：
S1, acquisition inhibit cancer cell drug sample 50, remove sugar-coat, then it is thin will to inhibit cancer for accurately weighed total weight
Born of the same parents' drug is ground by grinder；
S2 then by sample cross 2mm sieve, it is placed in the vessel spare；
S3, poured by weighing sample 20g in beaker, then add in hydrochloric acid, after the 1h that flows back, with the chloroformic solution of 40mL,
It extracts, separates in three times, washing；
S4 and then addition sodium sulphate make its reaction, react 22h；
S5 and then beaker is evaporated into solvent under vacuum, and add in internal standard compound aristolochic acid；
S6 and then the residue after being evaporated are dissolved in diethyl ether solutions of the 22mL with tosyl-N- nitrosoamides,
Ether concentration is 0.16g/mL；
S7 and then potassium hydroxide solution is added dropwise, is adding in the diethyl ether solution of the diazomethane containing 0.5g, reacting 12h, into
Row methylates；
S8, after the completion of methylating, reactant is evaporated in a vacuum；
S9 and then residue is dissolved in the chloroform of 10mL, is subsequently poured into chromatographic column and shakes up, 300 DEG C of chromatographic column temperature,
Injector examines room temperature to be 320 DEG C, the use of nitrogen is carrier, then gas flow rate 30mL/min is detected by Raman spectrum,
It is predicted by density functional theory and inhibits Isomers content in cancer cell drug.
Specifically, the grinder is TL1000 grinders.
Specifically, the potassium hydroxide solution in the S7 is 0.84g, the ethanol solution for being 72% with the concentration of 50mL is molten
Solution.
Specifically, the cold boiler is R2005KB cold boilers.
Specifically, the chromatographic column in the S9 is WAWDMXS glass columns.
Embodiment 2
It is a kind of that the method for inhibiting Isomers content in cancer cell drug is predicted with density functional theory, it specifically includes following
Step：
S1, acquisition inhibit cancer cell drug sample 50, remove sugar-coat, then it is thin will to inhibit cancer for accurately weighed total weight
Born of the same parents' drug is ground by grinder；
S2 then by sample cross 2mm sieve, it is placed in the vessel spare；
S3, poured by weighing sample 30g in beaker, then add in hydrochloric acid, after the 1h that flows back, with the chloroformic solution of 40mL,
It extracts, separates in three times, washing；
S4 and then addition sodium sulphate make its reaction, react 23h；
S5 and then beaker is evaporated into solvent under vacuum, and add in internal standard compound aristolochic acid；
S6 and then the residue after being evaporated are dissolved in diethyl ether solutions of the 22mL with tosyl-N- nitrosoamides,
Ether concentration is 0.16g/mL；
S7 and then potassium hydroxide solution is added dropwise, is adding in the diethyl ether solution of the diazomethane containing 0.5g, reacting 12h, into
Row methylates；
S8, after the completion of methylating, reactant is evaporated in a vacuum；
S9 and then residue is dissolved in the chloroform of 10mL, is subsequently poured into chromatographic column and shakes up, 300 DEG C of chromatographic column temperature,
Injector examines room temperature to be 320 DEG C, the use of nitrogen is carrier, then gas flow rate 30mL/min is detected by Raman spectrum,
It is predicted by density functional theory and inhibits Isomers content in cancer cell drug.
Specifically, the grinder is TL1000 grinders.
Specifically, the potassium hydroxide solution in the S7 is 0.84g, the ethanol solution for being 72% with the concentration of 50mL is molten
Solution.
Specifically, the cold boiler is R2005KB cold boilers.
Specifically, the chromatographic column in the S9 is WAWDMXS glass columns.
Embodiment 3
It is a kind of that the method for inhibiting Isomers content in cancer cell drug is predicted with density functional theory, it specifically includes following
Step：
S1, acquisition inhibit cancer cell drug sample 50, remove sugar-coat, then it is thin will to inhibit cancer for accurately weighed total weight
Born of the same parents' drug is ground by grinder；
S2 then by sample cross 2mm sieve, it is placed in the vessel spare；
S3, poured by weighing sample 40g in beaker, then add in hydrochloric acid, after the 1h that flows back, with the chloroformic solution of 40mL,
It extracts, separates in three times, washing；
S4 and then addition sodium sulphate make its reaction, and reaction is for 24 hours；
S5 and then beaker is evaporated into solvent under vacuum, and add in internal standard compound aristolochic acid；
S6 and then the residue after being evaporated are dissolved in diethyl ether solutions of the 22mL with tosyl-N- nitrosoamides,
Ether concentration is 0.16g/mL；
S7 and then potassium hydroxide solution is added dropwise, is adding in the diethyl ether solution of the diazomethane containing 0.5g, reacting 12h, into
Row methylates；
S8, after the completion of methylating, reactant is evaporated in a vacuum；
S9 and then residue is dissolved in the chloroform of 10mL, is subsequently poured into chromatographic column and shakes up, 300 DEG C of chromatographic column temperature,
Injector examines room temperature to be 320 DEG C, the use of nitrogen is carrier, then gas flow rate 30mL/min is detected by Raman spectrum,
It is predicted by density functional theory and inhibits Isomers content in cancer cell drug.
Specifically, the grinder is TL1000 grinders.
Specifically, the potassium hydroxide solution in the S7 is 0.84g, the ethanol solution for being 72% with the concentration of 50mL is molten
Solution.
Specifically, the cold boiler is R2005KB cold boilers.
Specifically, the chromatographic column in the S9 is WAWDMXS glass columns.
In summary：Compared with prior art：1st, weigh sample 20-40g to pour into beaker, then add in hydrochloric acid, flow back
It after 1h, with the chloroformic solution of 40mL, extracts, separates in three times, wash, the impurity eliminated significantly, improve the precision of prediction；Sulphur
Sour sodium makes its reaction, and reaction is for 24 hours so that fully reaction occurs for sample, substantially increases the precision of prediction；After being repeatedly evaporated
Again with other solvent reactions, while impurity is removed, the adequacy of the reaction of sample other solvents is improved, is substantially increased
Precision of prediction.Therefore this predicts preparation method early period for inhibiting Isomers content in cancer cell drug with density functional theory,
Method is reasonable, easy to operate, and precision of prediction is high, is suitble to large-scale promotion.
The foregoing is only a preferred embodiment of the present invention, but protection scope of the present invention be not limited thereto,
Any one skilled in the art in the technical scope disclosed by the present invention, technique according to the invention scheme and its
Inventive concept is subject to equivalent substitution or change, should be covered by the protection scope of the present invention.
Claims (5)
1. a kind of predict preparation method early period for inhibiting Isomers content in cancer cell drug, feature with density functional theory
It is, specifically includes following steps：
S1, acquisition inhibit cancer cell drug sample 50, remove sugar-coat, then accurately weighed total weight will inhibit cancer cell medicine
Product are ground by grinder；
S2 then by sample cross 2mm sieve, it is placed in the vessel spare；
S3, poured by weighing sample 20-40g in beaker, then add in hydrochloric acid, after the 1h that flows back, with the chloroformic solution of 40mL, divided
It extracts, separates three times, washing；
S4 and then addition sodium sulphate make its reaction, react 22-24h；
S5 and then beaker is evaporated into solvent under vacuum, and add in internal standard compound aristolochic acid；
S6 and then the residue after being evaporated are dissolved in diethyl ether solutions of the 22mL with tosyl-N- nitrosoamides, ether
Concentration is 0.16g/mL；
S7 and then potassium hydroxide solution is added dropwise, is adding in the diethyl ether solution of the diazomethane containing 0.5g, reacting 12h, carrying out first
Base；
S8, after the completion of methylating, reactant is evaporated in a vacuum；
S9 and then residue is dissolved in the chloroform of 10mL, is subsequently poured into chromatographic column and shakes up, 300 DEG C of chromatographic column temperature, sample introduction
Device examines room temperature to be 320 DEG C, the use of nitrogen is carrier, and then gas flow rate 30mL/min is detected by Raman spectrum, lead to
It crosses density functional theory prediction and inhibits Isomers content in cancer cell drug.
2. a kind of predicted with density functional theory inhibits in cancer cell drug before Isomers content according to claim 1
Phase preparation method, it is characterised in that：The grinder is TL1000 grinders.
3. a kind of predicted with density functional theory inhibits in cancer cell drug before Isomers content according to claim 1
Phase preparation method, it is characterised in that：Potassium hydroxide solution in the S7 is 0.84g, the ethyl alcohol for being 72% with the concentration of 50mL
Solution dissolves.
4. a kind of predicted with density functional theory inhibits in cancer cell drug before Isomers content according to claim 1
Phase preparation method, it is characterised in that：The cold boiler is R2005KB cold boilers.
5. a kind of predicted with density functional theory inhibits in cancer cell drug before Isomers content according to claim 1
Phase preparation method, it is characterised in that：Chromatographic column in the S9 is WAWDMXS glass columns.
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Citations (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN107345911A (en) * | 2017-06-06 | 2017-11-14 | 浙江大学 | A kind of method of histamine in SERS qualitative and quantitative analysis rice fish tissue |
-
2018
- 2018-02-26 CN CN201810160612.5A patent/CN108120710A/en active Pending
Patent Citations (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN107345911A (en) * | 2017-06-06 | 2017-11-14 | 浙江大学 | A kind of method of histamine in SERS qualitative and quantitative analysis rice fish tissue |
Non-Patent Citations (4)
| Title |
|---|
| EWA TYKARSKA 等: "Effect of Neighbors on the Conformational Preferences of Glycosidic Linkages in Glycyrrhizic Acid and Its Mono- and Dideprotonated Forms:X-ray,NMR,and Computational Studies", 《CRYSTAL GROWTH DESIGN》 * |
| SAKAE AMAGAYA 等: "Separation and quantitative analysis of 18α-glycyrrhetinic acid and 18β-glycyrrhetinic acid in Glycyrrhizae Radix by gas-liquid chromatography", 《JOURNAL OF CHROMATOGRAPHY》 * |
| 石敏健: "甘草酸制剂主成分异构体含量差异分析及牛黄样品中胆红素含量检测方法的比较研究", 《中国优秀硕士学位论文全文数据库 医药卫生科技辑》 * |
| 陶亚萍 等: "柠檬酸分子振动光谱研究", 《光散射学报》 * |
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