Tamoxifen Undergoes Optimization
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.
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.
A drug that is commonly used to treat patients with breast cancer other than
chemotherapy is Tamoxifen (Nolvadex). For more than 30 years, it has been used to treat women
with early and advanced breast cancer. Tamoxifen is known as a
drug that disrupts the activity of estrogen, a female
hormone made by the body that helps develop and
maintain female sex characteristics. Based on the data
presented by the Early Breast Cancer Trialists
Collaborative Group, out of 30,000 women that were
treated with Tamoxifen, 51.2% survived disease-free
for at least ten years 2. Ball-and-Stick Model of Tamoxifen5
Estrogen is a hormone that promotes the growth of breast cancer cells. As an antiestrogen
drug, Tamoxifen was designed to slow and stop the growth of the cancer cells that are
constantly being produced in every breast cancer patient 1. For over thirty years, Tamoxifen has
been approved by the Food and Drug Administration (FDA) to treat breast cancer.
Not only does Tamoxifen help prevent the recurrence of the original cancer, but it also
prevents the development of new cancers in the opposite breast. Tamoxifen has been tested by
the Breast is Cancer Prevention Trial (BCPT) to reduce breast cancer incidence by 49%...