http://goparallel.sourceforge.net/prostate-cancers-new-opponent-the-supercomputer/


Southern Methodist University (SMU) researchers say they have discovered
three new drug-like compounds that could improve survival rates of prostate
cancer patients.

The compounds could be modified and developed into medicine that targets a
protein responsible for chemotherapy resistance, according to a recent
university press release
<http://blog.smu.edu/research/2015/09/08/researchers-discover-new-drug-like-compounds-that-may-improve-odds-for-men-battling-prostate-cancer/>
.

According to SMU biochemistry professor Pia D. Vogel, the P-glycoprotein
(P-gp) eliminates toxins from cells, but sometimes evolves and pushes out
chemotherapeutics as well.

Vogel and her team of researchers discovered the three compounds after
virtually screening more than 15 million small drug-like compounds from the
pharmacology database Zinc at University of California at San Francisco,
the release said.

SMU biologist John G. Wise ran the compounds through a computer model of
P-gp with SMU’s ManeFrame high-performance computer, which runs on Intel
Xeon processors. The virtual model is the first to simulate the behavior of
the protein in the human body, including interactions with drug-like
compounds, the release said.

Researchers discovered 300 compounds that looked like they could inhibit
P-gp. They tested 38 of those in a physical lab and found four that
inhibited the protein. Those four compounds were tested further by using a
chemotherapy drug on prostate cancer cells; three were effective, the
release said.

The three compounds are not drugs yet, but they are promising candidates
for chemical modification and could become therapeutic drugs one day. The
timetable from drug discovery to development, clinical trials and approval
could take at least 10 years, according to the release.

The researchers recently published their findings in the journal
Pharmacology Research & Perspectives.
Posted on September 23, 2015 by Wylie Wong, Slashdot Media Contributing
Editor

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