Tamoxifen Undergoes Optimization
Abstract
Computer programs like GaussView and Gaussian 03W are some of the advanced tools
that can be used by scientists to design and optimize new designed drug. Using the exact same
tools as scientists today, I am going to take a known drug, Tamoxifen, and create few analogs
similar to its structure. Before I can create some analogs in GaussView, I am going to study and
examine the structure of Tamoxifen to understand the chemistry that involves in this structure.
For example, the bonds between molecules and the interactions between the drug and estrogen
receptor complex site. After I design an analog of Tamoxifen, I will then use the Gaussian 03W
program to optimize the analog. As for the last step in determining if an analog is a good
candidate for a new designed drug, I am going to use a special computer program called
OpenEye Software to help me make that prediction.
Introduction
Breast Cancer is the most common type of cancer known among women in the US. It is
the second-leading cause of cancer-related deaths. More than 180,000 women are diagnosed with
breast cancer each year. In 2006, out of all of these women, 40,000 died. Although breast cancer
mainly affects women, data shows that men can also be affected as well; each year more than
1,000 men are diagnosed with breast cancer 3. This information shows that cancer can affect
anyone regardless of an individual’s gender, ethnicity, etc. It is important that everyone knows
about breast cancer and helps friends or family members with breast cancer to find way to
diagnose it. In nowadays, scientists are learning more about cancer and are exploring new ways
to prevent, detect, diagnose, and treat this deadly disease 1.
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Over the past decade breast cancer has become one of the most predominant diseases in the United States. Breast cancer starts out as a malignant tumor in the tissues of the breast which is formed from the uncontrolled growth of abnormal breast cells. Breast cancer is the most common cancer in women, but it can also appear in men. (Stephan, 2010)
Throughout many generations the success of medicine has been dog-eared throughout history, from penicillin being created through colonized bacteria on an agar plate to chemotherapy being used to combat the ailments of cancer, we as a society rely a great deal on the effectiveness of medicine. Due to this realization one can agree that it is imperative that the medications that are being distributed and placed on the pharmaceutical market are tested and analyzed at all angles and perspectives to ensure they work effectively and successfully resulting in moderate to no side effects. The progressive industry of medicine has greatly increased since the early nineties thanks to the advancement in medical technology making
Breast cancer cases are 22% higher than
Some risk factors cannot be changed such as age, race, and gender. A person 's risk increases as they get older. Approximately 1 out of 8 women are at risk of developing breast cancer are younger than 55. Approximately 2 out of 3 women are at risk of developing breast cancer who are older than 55 (American Cancer Society, 2014). To decrease this rate, women need more timely follow ups and access to high quality treatments (Centers for Disease Control and Prevention, 2015). Men can develop breast cancer, but this disease is more common among women than men. (American Cancer Society, 2015).
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Breast Cancer is defined as “a group of solid tumor malignancies arising in the tissues of the breast” (Sarah Crawford, Richard Alder, 2013) in human and other mammals. It can happen to both men and women. For women, breast cancer is one of the leading causes of cancer death. According to National Cancer Institute, in the United States, the 2014 estimated new cases and deaths of female from breast cancer are 232,670 and 40,000, respectively. For male, it’s 430 deaths out of 2,360 new cases. From these numbers, we can see that women in the U.S. are greatly affected by breast cancer, thus, it’s not difficult to imagine the impact on a worldwide level. Although these numbers look frightening, people can actually survive from breast cancer if it is detected early and treated properly, so it is extremely important for all of us, especially women, to have a better understanding of breast cancer.
Over the past decade, scientists have made significant advancements in the treatment of certain diseases. Unfortunately, just like any new product, the cost of developing these new technologies and treatments is extremely high. Plus, unlike other technology, heath technolo...
For a drug to get to market it must go through several stages of research and development (Abbott and Vernon). Starting with discovery research, preclinical testing on animals, three phases of clinical trials on humans, and finally FDA (Food and Drug Administration) approval (Abbott and Vernon). Out of several thousands of drugs only a few will make it to the FDA approval stage (Abbott and Vernon). Testing is a highly regulated, time consuming, and expensive process. From beginning to end the process can take fifteen years and less than one of five compounds will make it to market where it is still not guaranteed to succeed (Abbott and
CDER, by current law, all new drugs need proof that they are effective and safe before they can
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Levy, Joel. The Bedside Book Of Chemistry. Vol. 1. Millers Point: Pier 9, 2011. 34-84. 1 vols. Print.
I hope to develop the career of an academic oncologist and the aspect that has captivated me the most is that of drug development. Any major change in oncology, at least for medical oncologists involves the invention and discoveries of new drugs and every single one of these has to be tested in the setting of a phase I trial. In order to develop a successful career as an academic oncologist, one needs to be able to conduct well-designed clinical trials and to be able to publish reproducible respected genuine papers. I also strongly feel that quality is more important than quantity in terms of final outcome of all the efforts and work. I hope to be working in this field in the future and be able to carry out my ideas and implement the same and in the process make some contribution in the care of the cancer patient.
As defined by Majure, breast cancer is an “uncontrolled growth of abnormal breast cells” (Majure: 110). It is also one of the cancers that women fear the most. Not only do women get diagnosed with breast cancer, men do too. However, it isn't as bad, or as common, in men as it is in women so doctors don’t recommend screening for men. In the U.S more than one thousand men get affected by breast cancer every year and about two hundred thousand women are affected by breast cancer every year. Women are most likely to get diagnosed with it in their forties and fifties while some may be diagnosed with breast cancer in their twenties, if they started their menstrual cycles at an early age like 14. Typically, men are diagnosed with breast cancer in their sixties or seventies.
The development of new indications for existing products should be figured out by the clinical organization and set the budget limits and achieves the company goals within the available
In the process of developing a drug, thousands upon thousands of chemical compounds are tested to be used in laboratory tests and animal tests. Generally, over 5000 compounds are chosen for such testing. Of 5000 chosen compounds, around five will be acceptable for use on humans in testing. Computers play a huge role in the testing and narrowing down of such chemical compounds used in drugs. Models of chemicals and reactions can be computer simulated to rule out compounds that would not be acceptable. Using computers in such a way greatly reduces the time spent on lengthy animal testing, and also ensures that the drugs that do pass will be safe for human testing.