WO2016178099A1

WO2016178099A1 - Nano floro tricyclohexane

Info

Publication number: WO2016178099A1
Application number: PCT/IB2016/050016
Authority: WO
Inventors: Mustafa Pehlivan
Original assignee: Individual
Current assignee: Individual
Priority date: 2016-01-04
Filing date: 2016-01-04
Publication date: 2016-11-10
Anticipated expiration: 2018-07-04

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.