WO2016178099A1 - Nano floro tricyclohexane - Google Patents
Nano floro tricyclohexane Download PDFInfo
- Publication number
- WO2016178099A1 WO2016178099A1 PCT/IB2016/050016 IB2016050016W WO2016178099A1 WO 2016178099 A1 WO2016178099 A1 WO 2016178099A1 IB 2016050016 W IB2016050016 W IB 2016050016W WO 2016178099 A1 WO2016178099 A1 WO 2016178099A1
- Authority
- WO
- WIPO (PCT)
- Prior art keywords
- cancer
- new drug
- drug molecule
- tyrosyl
- dna phosphodiesterase
- Prior art date
Links
Classifications
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K31/00—Medicinal preparations containing organic active ingredients
- A61K31/02—Halogenated hydrocarbons
- A61K31/025—Halogenated hydrocarbons carbocyclic
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P35/00—Antineoplastic agents
Definitions
- Tyrosyl DNA Phosphodiesterase 1 Inhibition of Tyrosyl DNA Phosphodiesterase 1 is involved in the repairement of cancer as it repairs irreversible top-1 DNA covalent complexes [1 ]. Tyrosyl DNA Phosphodiesterase 1 inhibition can also be beneficial for treating malignant glioma, as identified by Al-Keilani [2]. The aims of this study were to establish a way to computationally predict how this enzyme can be inhibited with a certain novel new drug molecule designed on computer to see what enzymatic activity it may have for specifically and inhibiting only Tyrosyl DNA Phosphodiesterase 1 .
- Figure 1 shows the organic structure of the new drug molecule (Nano-floro- tricyclohexane) and Figure 2 shows the enzymatic activity and inhibition efficacy of the new novel drug compound, whereas figure 3 provides ADME (Absorption, Distribution, Metabolism, Elimination) data of this compound.
- ADME Absorption, Distribution, Metabolism, Elimination
- Tyrosyl DNA Phosphodiesterase as an anticancer therapy, Anticancer Agents Med Chem. 2008 May; 8(4): 381 -389 Role of Tyrosyl-DNA Phosphodiesterase I (TDP1 ) as a Prognostic and Predictiv Factor in Malignant Glioma, Al-Keilani (Iowa Research 2013) http://www.swisstargetprediction.ch/ http://lmmd.ecust.edu.cn:8000/ Johan W.M. Heemskerk et al., Platelet Activation and Blood Coagulation, Thromb haemost 2002, 88; 186-93
Abstract
This invention is about the discovery of a new drug molecule that will inhibit the enzyme Tyrosyl DNA Phosphodiesterase 1. Tyrosyl DNA Phosphodiesterase 1 is a very important enzyme in terms of metastatic cancer treatment as it is involved in repairing damaged DNA of cancer cells. When Cancer cells (tumors) are damaged by Chemotherapeutic anti cancer drugs, tyrosyl DNA Phosphodiesterase 1 is activated and repairs damaged cancer cells. As a result, cancer continues spreading within the body. If Tyrosyl DNA Phosphodiesterase 1 could be stopped doing that, cancer would stop spreading and therefore the cancer Chemotherapy drugs will provide much better therapeutic effects that will lead to stopping cancer. For this reason, targeting Tyrosyl DNA Phosphodiesterase 1 has always been a target for Scientists who work on the discovery of new drug molecules. The purpose of this study is to introduce such a new drug molecule with in silico computational results with the relevant data. The compound is 1,8,8-trifluoro,1-trifluoromethyl,4a- (1,4,4-trifluorocyclohexyl)decalin.
Description
NANO FLORO TRICYCLOHEXANE
NEW DRUG DISCOVERY (NANO-FLORO-TRICYCLOHEXANE) THAT WILL
BREAK THE RESISTANCE MECHANISM OF CANCER
Inhibition of Tyrosyl DNA Phosphodiesterase 1 is involved in the repairement of cancer as it repairs irreversible top-1 DNA covalent complexes [1 ]. Tyrosyl DNA Phosphodiesterase 1 inhibition can also be beneficial for treating malignant glioma, as identified by Al-Keilani [2]. The aims of this study were to establish a way to computationally predict how this enzyme can be inhibited with a certain novel new drug molecule designed on computer to see what enzymatic activity it may have for specifically and inhibiting only Tyrosyl DNA Phosphodiesterase 1 . The online software called "Swiss target predictor" [3] was then used to find such novel molecules, and in one of the trials, such a novel compound that has 95% inhibition efficacy against tyrosyl DNA Phosphodiesterase 1 has been discovered. The molecule was Nano Floro tricyclohexane and figure 1 shows the open formula fort his novel drug molecule along with its inhibition data. The open chemical formula (SMILES) of this molecule was then entered into the ADMET predictor software online to see what Pharmacokinetic effects it may have [4]. The result was that it was a partial inhibitor of glycoproteins which are responsible from clotting [5] No other potential side effects were shown.
Figure 1 shows the organic structure of the new drug molecule (Nano-floro- tricyclohexane) and Figure 2 shows the enzymatic activity and inhibition efficacy of the new novel drug compound, whereas figure 3 provides ADME (Absorption, Distribution, Metabolism, Elimination) data of this compound.
It is evidenced within this study that a novel effective new drug molecule has been discovered that would treat and cure cancer. In future, it is expected that this drug molecule could be synthesized and then enters clinical trials. It is also expected that this active drug, if successful by the end of clinical trials, should be given to patients suffering from cancer with moderate to high dose vitamin K to prevent inner bleeding as the molecule has potential of inhibiting glycoproteins that may result in thinning blood.
References:
Thomas S. Dexheimer et al. , Tyrosyl DNA Phosphodiesterase as an anticancer therapy, Anticancer Agents Med Chem. 2008 May; 8(4): 381 -389 Role of Tyrosyl-DNA Phosphodiesterase I (TDP1 ) as a Prognostic and Predictiv Factor in Malignant Glioma, Al-Keilani (Iowa Research 2013) http://www.swisstargetprediction.ch/ http://lmmd.ecust.edu.cn:8000/ Johan W.M. Heemskerk et al., Platelet Activation and Blood Coagulation, Thromb haemost 2002, 88; 186-93
Claims
1 . This invention is a new drug molecule (Nano-floro-tricyclohexane) computationaly predicted to stop cancer from spreading.
2. The drug molecule is shown to highly and specifically inhibit the enzyme Tyrosyl DNA Phosphodiesterase 1 , the enzyme that repairs damaged DNA of cancer cells, according to claim 1 .
3. Two figures related to this new drug molecule (Nano-floro-tricyclohexane) have been provided, the former shows the efficacy and enzymatic inhibition levels of the new drug molecule, and the latter shows the Pharmacokinetic ADME (how the drug will be absorbed and work within the body) properties, based on claim 1 .
4. This new drug molecule is the first in its own category as there are no other Tyrosyl DNA Phosphodiesterase 1 inhibitors in the market.
5. Once synthesized and clinically tried, this new drug, according to claim 1 , will stop metastatis (spreading cancer) and in combination with other anti cancer (Chemotherapy) drug(s), it will provide rapid healing as the damaged DNA of cancer cells will not be repaired anymore, due to the inhibition of the enzyme human Tyrosyl DNA Phosphodiesterase 1 . Therefore, synthesis and initiation of clinical trials in relation to this new drug molecule will be highly beneficial in terms of patients suffering from cancer.
Priority Applications (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
PCT/IB2016/050016 WO2016178099A1 (en) | 2016-01-04 | 2016-01-04 | Nano floro tricyclohexane |
Applications Claiming Priority (1)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
PCT/IB2016/050016 WO2016178099A1 (en) | 2016-01-04 | 2016-01-04 | Nano floro tricyclohexane |
Publications (1)
Publication Number | Publication Date |
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WO2016178099A1 true WO2016178099A1 (en) | 2016-11-10 |
Family
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Family Applications (1)
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PCT/IB2016/050016 WO2016178099A1 (en) | 2016-01-04 | 2016-01-04 | Nano floro tricyclohexane |
Country Status (1)
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WO (1) | WO2016178099A1 (en) |
Cited By (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN111812315A (en) * | 2019-04-12 | 2020-10-23 | 中国科学院化学研究所 | Drug damage DNA functionalized magnetic nano affinity probe and preparation method and application thereof |
Citations (3)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
EP0253529A1 (en) * | 1986-06-24 | 1988-01-20 | Isc Chemicals Limited | Fluorinated polycyclic compounds |
JPH0256462A (en) * | 1988-08-19 | 1990-02-26 | Asahi Glass Co Ltd | Retinoid analog and production thereof |
WO1996000568A1 (en) * | 1994-06-29 | 1996-01-11 | Igor Vyacheslavovich Belov | Anti-metastatic agent |
-
2016
- 2016-01-04 WO PCT/IB2016/050016 patent/WO2016178099A1/en active Application Filing
Patent Citations (3)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
EP0253529A1 (en) * | 1986-06-24 | 1988-01-20 | Isc Chemicals Limited | Fluorinated polycyclic compounds |
JPH0256462A (en) * | 1988-08-19 | 1990-02-26 | Asahi Glass Co Ltd | Retinoid analog and production thereof |
WO1996000568A1 (en) * | 1994-06-29 | 1996-01-11 | Igor Vyacheslavovich Belov | Anti-metastatic agent |
Non-Patent Citations (4)
Title |
---|
AI-KEILANI: "Role of Tyrosyl-DNA Phosphodiesterase I (TDP1) as a Prognostic and Predictiv Factor in Malignant Glioma", IOWA RESEARCH, 2013 |
C. MARCHAND ET AL: "Identification of phosphotyrosine mimetic inhibitors of human tyrosyl-DNA phosphodiesterase I by a novel AlphaScreen high-throughput assay", MOLECULAR CANCER THERAPEUTICS, vol. 8, no. 1, 1 January 2009 (2009-01-01), US, pages 240 - 248, XP055297734, ISSN: 1535-7163, DOI: 10.1158/1535-7163.MCT-08-0878 * |
JOHAN W.M. HEEMSKERK ET AL.: "Platelet Activation and Blood Coagulation", THROMB HAEMOST, vol. 88, 2002, pages 186 - 193 |
THOMAS S. DEXHEIMER ET AL.: "Tyrosyl DNA Phosphodiesterase as an anticancer therapy", ANTICANCER AGENTS MED CHEM., vol. 8, no. 4, May 2008 (2008-05-01), pages 381 - 389 |
Cited By (1)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
CN111812315A (en) * | 2019-04-12 | 2020-10-23 | 中国科学院化学研究所 | Drug damage DNA functionalized magnetic nano affinity probe and preparation method and application thereof |
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