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34 results about "Ponatinib" patented technology
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Ponatinib is used to treat certain types of blood cancer (chronic myelogenous leukemia-CML, acute lymphoblastic leukemia-ALL).
Crystalline forms of ponatinib hydrochloride
The present disclosure relates to polymorphic forms of the hydrochloride salt of ponatinib (“compound 1”) and to processes for the preparation of these polymorphic forms. The present disclosure also generally relates to a pharmaceutical composition comprising the forms, as well of methods of using the form(s) in the treatment of disorders associated with pathological cellular proliferation, such as neoplasms, and cancer.
Owner:SANDOZ AG +1
Processes for making ponatinib and intermediates thereof
Novel synthetic approaches to make 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide, intermediates and pharmaceutically acceptable salts thereof are provided.
Owner:MYLAN PHARMA INC
Application of tyrosine kinase inhibitor as treatment drug for acute kidney injury
ActiveCN110538181AImprove inflammationCause deathOrganic active ingredientsUrinary disorderRenal ischemia reperfusionTyrosine-kinase inhibitor
The invention belongs to the technical field of kidney injury treatment drugs, and particularly relates to application of ponatinib as a drug for acute kidney injury. As an acute clinical complication, the acute kidney injury has the characteristics of being high in morbidity and high in mortality, and effective treatment drugs are not achieved at present. Related researchers in the field show that PDCD4 expression becomes higher in an acute kidney injury model, and it is indicated that the PDCD4 plays an important role in the physiological mechanism related to the acute kidney injury. The situation that the PDCD4 aggravates the kidney injury by regulating an Fgr-Stat3-Notch1 pathway is further confirmed. The confirmation of the regulatory mechanism provides a basis for the treatment of the acute kidney injury. According to the research results, the ponatinib, an Fgr kinase inhibitor, is adopted to treat the acute kidney injury, the drug has a significant protective effect on the injury caused by kidney ischemia reperfusion, and it is indicated that the drug intervention in Fgr can prevent and treat the acute kidney injury.
Owner:SHANDONG UNIV
Preparation method of drug for treating chronic granulocytic leukemia
The invention relates to a preparation method of a drug for treating chronic granulocytic leukemia, belonging to the field of medical chemistry, and specifically relates to a preparation method of 3-[2-(imidazo[1,2-b] pyridazine-3-yl) acetenyl]-4-methyl-N-{4-[4-methyl piperazine-1-yl] methyl}-3- trifluoromethyl phenyl} benzoyl amide (ponatinib). The method comprises the following steps: adding a phosphine ligand and cesium carbonate at the same time by taking Pd(PPh3)2Cl2 as a catalyst; adding strong base DBU or adding CuI as a cocatalyst to carry out sonagashira reaction, wherein the phosphine ligand is selected from tricyclohexyl phosphine (PCy3), tri-tert-butyl phosphine (PtBu3) or tri(funan-2-yl) phosphine (P(2-furyl)3). The method disclosed by the invention is complete in reaction, does not have or has extremely few diyne byproduct of alkyne coupling, and is easy to separate and purity.
Owner:NANJING SANHOME PHARMACEUTICAL CO LTD
Clean production method of medicine ponatinib intermediate for treating leukemia
InactiveCN108479773AMild conditionsHigh selectivityOrganic compound preparationCatalyst activation/preparationCerium nitrateNitrobenzene
The invention belongs to the technical field of organic catalysis and in particular relates to a clean production method of a medicine ponatinib intermediate for treating leukemia. According to the clean production method provided by the invention, cerium nitrate is used as a modifying agent and hectorite is modified through a co-precipitation method to obtain modified hectorite; then noble metalPd is loaded to obtain a cerium modified hectorite supported Pd catalyst. The catalyst prepared by the clean production method can be used for catalyzing 4-(4-methylpiperazine-1-methylene)-3-trifluoromethyl-1-nitrobenzene to prepare the medicine ponatinib intermediate for treating the leukemia, i.e., 3-trifluoromethyl-4-[(4-methylpiperazine-1-yl)methyl]aniline. The clean production method has theadvantages of green and pollution-free catalysis system and relatively high yield and has an industrialized production prospect.
Owner:商立华
Application of Ponatinib in preparing drugs for treating fungal infections
ActiveCN110623957AIncrease lethalityAntibacterial effect reachedOrganic active ingredientsAntimycoticsCandida famataTherapeutic effect
The invention belongs to the field of pharmaceutical preparation, and in particular relates to application of Ponatinib in preparing drugs for treating fungal infections. Ponatinib has a therapeutic effect on fungal infections, especially when used in combination with fluonazole, not only has a good fungistatic effect, but also achieves a fungicidal effect against fungal infections; and furthermore, Ponatinib has a broad-spectrum antifungal effect, and has good killing effects on fluconazole-resistant Candida albicans strains, Cryptococcus neoformans and Saccharomyces cerevisiae. According tothe present invention, a gene PDR5 and a gene PMA1 are found to be drug targets of Ponatinib for antifungal infection effect, and a new development direction and action mechanism for the treatment offungal infections and research and development of therapeutic drugs are provided.
Owner:SHANGHAI JIAOTONG UNIV SCHOOL OF MEDICINE
Drug for preventing and treating cerebral cavernous malformation (CCM)
The invention relates to a drug for preventing and treating cerebral cavernous malformation (CCM). The invention discloses a drug which inhibits molecular passages of the CCM to further inhibit occurrence and growth of CCM focuses, and the drug is Ponatinib and also comprises analogues or derivatives of Ponatinib.
Owner:TIANJIN MEDICAL UNIV
Application of ponatinib in preparation of medicine for treating ischemia/reperfusion injury
ActiveCN107648235AInhibit necroptosisNecroptosis decreasedOrganic active ingredientsDigestive systemReperfusion injuryPonatinib
The invention discloses application of ponatinib in the preparation of a medicine for treating ischemia / reperfusion injury. By using ponatinib in treating ischemia / reperfusion injury, especially in treating brain tissue neuropathy and even especially in the protective effect on ischemic cerebral apoplexy, cerebral ischemia / reperfusion injury can be remarkably mitigated.
Owner:CENT SOUTH UNIV
Crystalline forms of ponatinib hydrochloride
The present disclosure relates to polymorphic forms of the hydrochloride salt of ponatinib (“compound 1”) and to processes for the preparation of these polymorphic forms. The present disclosure also generally relates to a pharmaceutical composition comprising the forms, as well of methods of using the form(s) in the treatment of disorders associated with pathological cellular proliferation, such as neoplasms, and cancer.
Owner:SANDOZ AG +1
Methods of treating t cell exhaustion by inhibiting or modulating t cell receptor signaling
PendingUS20200101108A1Great clinical benefitGreat tumor responseOrganic active ingredientsMammal material medical ingredientsMedicineTyrosine-kinase inhibitor
Provided herein are compositions and methods for preventing or reversing T cell exhaustion. In particular, the present invention relates to methods of preventing or reversing T cell exhaustion by exposing T cells experiencing T cell exhaustion to particular tyrosine kinase inhibitors (e.g., dasatinib, ponatinib), or by expanding genetically engineered T cells in the presence of particular tyrosine kinase inhibitors (e.g., dasatinib, ponatinib).
Owner:THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIV
A preparation method of medicine for treating chronic myelogenous leukemia
The invention relates to a preparation method of a drug for treating chronic granulocytic leukemia, belonging to the field of medical chemistry, and specifically relates to a preparation method of 3-[2-(imidazo[1,2-b] pyridazine-3-yl) acetenyl]-4-methyl-N-{4-[4-methyl piperazine-1-yl] methyl}-3- trifluoromethyl phenyl} benzoyl amide (ponatinib). The method comprises the following steps: adding a phosphine ligand and cesium carbonate at the same time by taking Pd(PPh3)2Cl2 as a catalyst; adding strong base DBU or adding CuI as a cocatalyst to carry out sonagashira reaction, wherein the phosphine ligand is selected from tricyclohexyl phosphine (PCy3), tri-tert-butyl phosphine (PtBu3) or tri(funan-2-yl) phosphine (P(2-furyl)3). The method disclosed by the invention is complete in reaction, does not have or has extremely few diyne byproduct of alkyne coupling, and is easy to separate and purity.
Owner:NANJING SANHOME PHARMACEUTICAL CO LTD
Multikinase inhibitors and uses in prostatic hyperplasia and urinary track diseases
ActiveUS11376252B2Treating/preventing benign prostate hyperplasiaLow urinary tract symptomPharmaceutical delivery mechanismUrinary disorderDiseaseRegorafenib
A method for preventing, treating and / or improving a prostatic disease or disorder associated with epithelial hyperplasia and / or fibrosis, comprising: administering an effective amount of a multikinase inhibitor to a subject in need thereof, wherein the multikinase inhibitor has a certain spectrum of kinase inhibitory activity. The multikinase inhibitor is sunitinib, regorafenib, ponatinib, pazopanib, nintedanib and / or lenvatinib. The prostatic disease or disorder is selected from the group consisting of benign prostate hyperplasia and its associated lower urinary tract symptoms, fibrosis of ureters and renal pelvis, prostate adenoma, and prostatic intraepithelial neoplasia in animals and humans.
Owner:AIVIVA BIOPHARMA INC
Combination therapy for the treatment of pancreatic cancer
The subject matter described herein is directed to compositions comprising a MEK inhibitor, or a pharmaceutically acceptable salt thereof, and a multi-kinase inhibitor that targets PDGFRα, S6 and STAT3 or a pharmaceutically acceptable salt thereof, and their use in treating pancreatic cancer. In another aspect, disclosed herein are methods of treating pancreatic cancer by administering a MEK inhibitor, or a pharmaceutically acceptable salt thereof, and a multi-kinase inhibitor, or a pharmaceutically acceptable salt thereof. In another aspect, the combination of cobimetinib, or a pharmaceutically acceptable salt thereof, and ponatinib or a pharmaceutically acceptable salt thereof is administered in a composition or the combination is administered separately to treat pancreatic cancer.
Owner:GENENTECH INC
Synthesis of ponatinib
The invention discloses a synthesis method of ponatinib. The method comprises the following steps: taking imidazo[1,2-b]pyridazine as a raw material, then subjecting the imidazo[1,2-b]pyridazine to react with N-halogenated succinimide so as to obtain 3-halogenated imidazo[1,2-b]pyridazine; making 3-iodo-4-R-benzoate carry out reactions to generate 4-R-3-trimethylsilylethynyl benzoate, then removing the trimethysilyl group so as to obtain 3-ethynyl-Rbenzonate, then carrying out reactions between 3-halogenated imidazo[1,2-b]pyridazine and 3-ethynyl-R-benzonate so as to obtain the reaction product 3-(imidazole[1,2-b]pyridazine-3-yl-ethynyl)-4-R-benzonate, then making the product react with 4-((4-methylpiperazine-1-yl) methylene)-3-trifluoromethyl phenylamine so as to obtain ponatinib, wherein the R represents one component selected from methyl, ethyl, propyl, isopropyl, n-butyl, and tertiary butyl. The synthesis process has the advantages of simple technology, mild reaction conditions, high product purity, high yield, low cost, and benefit for industrial production.
Owner:GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACAD OF SCI
Pharmaceutical composition and methods comprising immune cells and ponatinib
ActiveUS11504396B2Prolong lifeHigh activityOrganic active ingredientsPharmaceutical delivery mechanismCytotoxicityPharmaceutical drug
Owner:NKMAX CO LTD
A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine
ActiveCN111004240BReduce harmSuitable for scale-up productionOrganic chemistrySodium-p-toluenesulfinatePyridazine
The invention discloses a synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine. The synthesis method comprises the following steps: synthesizing a compound I from 3-pyridazinone and 2-chloroethylamine acid salt under an alkaline condition; reacting a compound I with NBS to generate a compound II, reacting the compound II with sodium p-toluenesulfonate to generate an active ester III, and finally introducing acetylene gas into the compound III in an aprotic solvent to react to obtain the 3-acetenylimidazo [1, 2-b] pyridazine. The method has the advantages of simple operation steps, cheap and easily available raw materials, and suitableness for large-scale production of generative enterprises.
![A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine](https://images-eureka.patsnap.com/patent_img/5873b299-9d1e-43d2-8344-cab91cf71b1b/BDA0002316457500000011.png "A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine")
![A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine](https://images-eureka.patsnap.com/patent_img/5873b299-9d1e-43d2-8344-cab91cf71b1b/BDA0002316457500000012.png "A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine")
![A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine](https://images-eureka.patsnap.com/patent_img/5873b299-9d1e-43d2-8344-cab91cf71b1b/BDA0002316457500000021.png "A kind of synthetic method of ponatinib intermediate 3-ethynyl imidazo [1,2-b] pyridazine")
Owner:SHANDONG BOYUAN PHARM CO LTD
The preparation method of ponatinib
Owner:深圳蓝新科技有限公司
Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof
A pharmaceutical composition for prevention or treatment of a disease or disorder characterized by chronic inflammation, associated with angiogenesis and fibrosis. The pharmaceutical composition includes a multi-target inhibitor, multi-phase modulator, or multi-kinase inhibitor, such as axitinib, nintedanib, pirfenidone, riociguat, sorafenib, sunitinib, lenvatinib, regorafenib, ponatinib, or pazopanib.
![Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof](https://images-eureka.patsnap.com/patent_img/68bec8f5-3bee-4ff8-b6f7-167894d17c16/HDA0003020068450000011.png "Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof")
![Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof](https://images-eureka.patsnap.com/patent_img/68bec8f5-3bee-4ff8-b6f7-167894d17c16/HDA0003020068450000021.png "Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof")
![Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof](https://images-eureka.patsnap.com/patent_img/68bec8f5-3bee-4ff8-b6f7-167894d17c16/HDA0003020068450000031.png "Multi-kinase inhibitors of VEGF and tgf[beta] and uses thereof")
Owner:AIVIVA BIOPHARMA INC
Ponatinib derivatives, processes for their preparation and uses thereof
The application provides a derivative of plinabulin with the structure of formula (I), which is used for anti-tumor, preventing chemotherapy-induced neutropenia and preventing chemotherapy-induced myelosuppression. In the field of cancer treatment, the two derivatives provided by the application have lower toxic side effects under the similar therapeutic effect of plinabulin, have stronger therapeutic effect and higher therapeutic index under the similar toxic side effects, have similar ability of preventing neutropenia and lower toxic side effects compared with plinabulin, have better therapeutic effect than the combination of the commercialized white blood cell increasing drug Neulasta and plinabulin, and can significantly increase the number of various blood cells when combined with a chemotherapy drug. The derivatives provided by the application have wide application prospects in anti-tumor treatment, prevention of neutropenia and prevention of myelosuppression.
Owner:CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES
The preparation method of ponatinib
ActiveCN103664960BRaw materials are easy to getSimple processOrganic chemistryBenzoic acidPyridazine
Owner:中铁装配式建筑科技有限公司
Application of tyrosine kinase inhibitor in preparation of medicine for treating acute kidney injury
ActiveCN110538181BImprove inflammationCause deathOrganic active ingredientsUrinary disorderRenal ischemia reperfusionTyrosine-kinase inhibitor
An application of Ponatinib as a drug for acute kidney injury. Since PDCD4 aggravates the kidney injury by regulating an Fgr-Stat3-Notch1 pathway, the ponatinib, an Fgr kinase inhibitor, is adopted to treat the acute kidney injury. The drug has a significant protective effect on the injury caused by kidney ischemia reperfusion, and it is indicated that the drug intervention in Fgr can prevent and treat the acute kidney injury.
Owner:SHANDONG UNIV
Pharmaceutical composition and methods comprising immune cells and ponatinib
ActiveUS20200085870A1Prolong lifeIncrease anti-cancer activityOrganic active ingredientsPharmaceutical delivery mechanismCytotoxicityPharmaceutical drug
Owner:NKMAX CO LTD
Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine
ActiveCN111004240AReduce harmSuitable for scale-up productionOrganic chemistryPyridazineSodium-p-toluenesulfinate
The invention discloses a synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine. The synthesis method comprises the following steps: synthesizing a compound I from 3-pyridazinone and 2-chloroethylamine acid salt under an alkaline condition; reacting a compound I with NBS to generate a compound II, reacting the compound II with sodium p-toluenesulfonate to generate an active ester III, and finally introducing acetylene gas into the compound III in an aprotic solvent to react to obtain the 3-acetenylimidazo [1, 2-b] pyridazine. The method has the advantages of simple operation steps, cheap and easily available raw materials, and suitableness for large-scale production of generative enterprises.
![Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine](https://images-eureka.patsnap.com/patent_img/8889e2e9-7607-4d29-bef1-5eb124dce37b/BDA0002316457500000011.png "Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine")
![Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine](https://images-eureka.patsnap.com/patent_img/8889e2e9-7607-4d29-bef1-5eb124dce37b/BDA0002316457500000012.png "Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine")
![Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine](https://images-eureka.patsnap.com/patent_img/8889e2e9-7607-4d29-bef1-5eb124dce37b/BDA0002316457500000021.png "Synthesis method of ponatinib intermediate 3-acetenylimidazo [1, 2-b] pyridazine")
Owner:SHANDONG BOYUAN PHARM CO LTD
Combination therapy for the treatment of pancreatic cancer
ActiveUS20190175576A1Amide active ingredientsAntineoplastic agentsCombined Modality TherapyCobimetinib
The subject matter described herein is directed to compositions comprising a MEK inhibitor, or a pharmaceutically acceptable salt thereof, and a multi-kinase inhibitor that targets PDGFRα, S6 and STAT3 or a pharmaceutically acceptable salt thereof, and their use in treating pancreatic cancer. In another aspect, disclosed herein are methods of treating pancreatic cancer by administering a MEK inhibitor, or a pharmaceutically acceptable salt thereof, and a multi-kinase inhibitor, or a pharmaceutically acceptable salt thereof. In another aspect, the combination of cobimetinib, or a pharmaceutically acceptable salt thereof, and ponatinib or a pharmaceutically acceptable salt thereof is administered in a composition or the combination is administered separately to treat pancreatic cancer.
Owner:GENENTECH INC
Application of Ginkgo biloba extract enhancing VS4718 or ponatinib in the progression of esophageal squamous cell carcinoma
ActiveCN120514708BOrganic active ingredientsDigestive systemAnticarcinogenic EffectGlycolipid metabolism
This invention provides the application of ginkgo biloba extract enhancing VS4718 or ponatinib in the anti-progression of esophageal squamous cell carcinoma. This invention discovers that ginkgo biloba extract can enhance the inhibitory effects of VS4718 or ponatinib on the growth and invasion of esophageal squamous cell carcinoma cells; ginkgo biloba extract sensitizes the inhibitory effect of VS4718 or ponatinib on the glycolipid metabolism of tumor cells; and the combined use of ginkgo biloba extract with VS4718 or ponatinib produces a synergistic anti-cancer effect.
Owner:BEIJING CANCER HOSPITAL PEKING UNIV CANCER HOSPITAL
Application of 2-cyano phenalenone compound in preparation of drug for treating drug-resistant tumors
ActiveCN114533875AAntineoplastic agentsNitrile/isonitrile active ingredientsCisplatin/doxorubicinOncology
The invention discloses application of a 2-cyano phenalenone compound in preparation of drugs for treating drug-resistant tumors, and belongs to the technical field of medical chemistry. The 2-cyano phenalenone compound disclosed by the invention can induce apoptosis of tumor cells resistant to chemotherapeutic drugs such as cis-platinum and adriamycin and targeted anticancer drugs such as ponatinib, tamoxifen and Winatocork, so that the effects of inhibiting growth of the chemotherapeutic drugs and the targeted anticancer drug resistant cells and killing the chemotherapeutic drugs and the targeted anticancer drug resistant cells are achieved; the compound is an apoptosis inducer with very high activity, and can be used for preparing potential drugs for preventing and treating chemotherapeutic drugs and targeted anticancer drug-resistant tumors.
Owner:DALIAN UNIV OF TECH
Application of anidulafungin in preparation of antitumor drugs and antitumor drugs
ActiveCN111773377AImprove anti-tumor effectGood effectCyclic peptide ingredientsAntineoplastic agentsMyeloid leukemiaAcute lymphoblastic leukemias
The invention relates to an application of anidulafungin in preparation of antitumor drugs and the antitumor drugs. The anidulafungin is used for preparing the antitumor drugs, especially drugs for resisting the breast cancer, the liver cancer, the pancreatic cancer, the brain tumor, the lung cancer, the kidney cancer, the melanoma, the chronic myeloid leukemia, the acute lymphoblastic leukemia and other tumors, and the effect is obvious. The anidulafungin is combined with other antitumor medicines, so that the antitumor effect of the antitumor drugs can be enhanced; and especially the anidulafungin is combined with cytotoxic antitumor medicines such as DNA structure and function affecting medicines such as cisplatin, transcription process interfering and RNA synthesis preventing medicinessuch as doxorubicin, and tyrosine kinase inhibitors such as ponatinib and pazopanib for application, so that the antitumor effect of the drugs can be enhanced.
Owner:CENT SOUTH UNIV
Application of micafungin in preparation of anti-tumor drug and anti-tumor drug
ActiveCN110876800AImprove anti-tumor effectGood effectOrganic active ingredientsInorganic active ingredientsTyrosine-kinase inhibitorTyrosine
The invention relates to application of micafungin in the preparation of an anti-tumor drug and an anti-tumor drug. Micafungin can promote the death of tumor cells and inhibit the growth of tumor cells, and has an anti-tumor effect. Mikafungin can enhance the anti-tumor effect of other anti-tumor drugs when combined with the anti-tumor drugs, especially combined with cytotoxic anti-tumor drugs such as drugs that affect DNA structure and function such as cisplatin, drugs that interfere with the transcription process and prevent RNA synthesis such as doxorubicin, tyrosine kinase inhibitors suchas ponatinib and / or pazopanib, and drugs that inhibit protein synthesis and function such as paclitaxel. The Mikafungin can enhance the anti-tumor effect of these drugs.
Owner:CENT SOUTH UNIV
Application of ponatinib in preparation of medicine for treating ischemia/reperfusion injury
ActiveCN107648235BInhibit necroptosisNecroptosis decreasedOrganic active ingredientsDigestive systemPharmaceutical drugCerebral ischaemia
The invention discloses application of ponatinib in the preparation of a medicine for treating ischemia / reperfusion injury. By using ponatinib in treating ischemia / reperfusion injury, especially in treating brain tissue neuropathy and even especially in the protective effect on ischemic cerebral apoplexy, cerebral ischemia / reperfusion injury can be remarkably mitigated.
Owner:CENT SOUTH UNIV
A kind of screening method of bcr-abl protein kinase inhibitor
ActiveCN108399315BNo toxicityEnhanced inhibitory effectMolecular designInstrumentsPTK InhibitorsKinase inhibition
The present invention provides a method for screening Bcr-Abl protein kinase inhibitors. Firstly, small molecules with high similarity to known Bcr-Abl protein kinase inhibitors obtained through Tanimoto similarity search are docked with docking targets, and then used The scoring function SPA scores the intermolecular interaction of the protein-small molecule docking conformation to obtain the affinity value E; and combines the obtained affinity value E with the thermodynamic specificity and kinetic specificity formula to calculate the The thermodynamic specificity ISR value and kinetic specificity RT value of molecule and docking target, finally obtain the Bcr-Abl protein kinase inhibitor with formula (I) structure; The result shows that the inhibitor that screening method obtains has very good to CML cell The inhibitory effect is non-toxic to normal cells in a large concentration range, and has the effect of inhibiting CML variant tumors comparable to ponatinib.
Owner:CHANGCHUN INST OF APPLIED CHEMISTRY - CHINESE ACAD OF SCI