(62 Total References)
Nano Tsunami Dot Com - Archive news 08-2004
Mayo Clinic researcher Yuan-Ping Pang, Ph.D., a chemist and head of the Computer-Aided Molecular Design Laboratory, reports results produced by the terascale computer he designed, built and managed.Using 800 PC processors harnessed together, Dr. Pang analyzed the SARS viral genome and built, atom by atom, the instantaneous 3D structures of the viral enzyme -- each of which is composed of 8,113 atoms -- just 20 days after the SARS viral genome was made public. ... read the wave
Yuan-Ping Pang - "Preference of ...
Yuan-Ping Pang - "Preference of Small Molecules for Local Minimum Conformations When Binding to Proteins"
...Yuan-Ping Pang, Mayo Clinic.
Mayo Clinic - Moonlighting Enzyme Linked to Neurodegenerative Disease
Other authors of this study include: Ngolela Esther Babady, a Ph.D. student at Mayo Graduate School; Yuan-Ping Pang, Ph.D., director of Mayo Clinic's Computer-Aided Molecular Design Laboratory; and Orly Elpeleg of Hadassah Hebrew University Medical Center in Jerusalem.
The study was funded with grants from the Muscular Dystrophy Association, American Heart Association, U.S. Department of Defense and the National Science Foundation
Mayo Researcher Discovers Target Site for Developing Mosquito Pesticides
Yuan-Ping Pang, Ph.D., a chemist and expert in computer-aided molecular design at Mayo Clinic, identified two unique amino acid residues called cysteine (286) and arginine (339).These exist in three mosquito species and the German cockroach.
> >Dr. Pang's
findings are significant because the residues could potentially be used as a target site for a pesticide that would incapacitate only insects that carry these residues, which do not exist in mammals.The findings appear in the current issue of PLoS ONE
, a new, peer-reviewed, open-access journal published by the Public Library of Science
"These findings suggest that new pesticides can be designed to target only the mosquito enzyme.Such pesticides could be used in small quantities to harm mosquitoes, but not mammals," Dr. Pang
...Dr. Pang, director of Mayo Clinic's Computer-Aided Molecular Design Laboratory, studied the genetic makeup of all known acetylcholinesterases in 73 species, including humans.He
identified residues that only exist in the mosquito version of the acetylcholinesterase.To identify which of these residues is susc eptible to pesticides, he
developed a three-dimensional model of mosquito acetylcholinesterase.With this three-dimensional model in hand, Dr. Pang
learned how residues function in a way never before possible.He
found that the cysteine and arginine residues were located at the opening of the active site of the mosquito acetylcholinesterase.An active site is a pocket in an enzyme where a fast chemical reaction takes place to break down a molecule or build a new molecule.
Previous studies by Dr. Pang
and researchers elsewhere found that the cysteine residue acts as a hook that could tether a small molecule in the active site of an enzyme and permanently damage the enzyme.This led Dr. Pang
to believe the cysteine and arginine residues could be targeted by a pesticide that would not affect humans and other mammals.
"While a three-dimensional model of the mosquito enzyme acetylcholinesterase has been reported by other scientists, no mosqu ito-specific residue at the active site of acetylcholinesterase has been reported until now," Dr. Pang
says."These findings suggest that a chemically stable molecule (to be used as a safer pesticide) could be made to react with the cysteine residue in the mosquito enzyme acetylcholinesterase and irreversibly inhibit the enzyme."
The three-dimensional model Dr. Pang
developed was created with a powerful computing system called a terascale system.He
built the system with 590 personal computers.
Mayo Clinic - Gates, Others Tap Mayo Computer Modeler to Research Malaria
Yuan-Ping Pang, Ph.D., a chemist and head of Mayo's Computer-Aided Molecular Design Laboratory, will lead computational work on the three-year project to be funded by a $2.7 million Grand Challenges in Global Health award.
The award is one of 43 projects funded by the Foundation for the National Institutes of Health
, in collaboration with the Bill & Melinda Gates Foundation
.It reflects an ongoing effort by the Gates Foundation
to focus innovative medical research on diseases that impact major international populations. "It's significant that the foundations recognized Dr. Pang's expertise, but also saw Mayo as a center for innovative biomedical technology," says Robert Rizza, M.D., Mayo Clinic's director for research.
, who built his
own supercomputer at Mayo Clinic
, will begin the project by determining the protein structures in mosquitoes that carry malaria and how they differ from the structures in human proteins.Using terascale supercomputing at Mayo, the goal is to understand the structural differences so researchers can develop an insecticide that won't hurt humans.
"This is a great opportunity to work with the foundations and a stellar team of scientists at Virginia Tech
and Kenya, Africa, to provide a solution that may have worldwide impact on health," says Dr. Pang
Scientists from Virginia Tech
will use Dr. Pang's
computer-generated mosquito protein structure as scaffolding on which they will build new molecules.The prototype will be tested in Virginia and then at the International Center for Insect Physiology and Ecology
Despite years of research and eradication efforts by the United Nations and others, malaria is still a widespread health problem.The World Health Organization
says upwards of 500 million people suffered malaria in 2003 and the death toll from all mosquito-borne illnesses exceeds 1 million annually; most were children under 5.Children who survive malaria often suffer learning impairments or brain damage. Dr. Pang
previously received national attention when he
own supercomputer by assembling processing units from hundreds of personal computers.He
then used his
supercomputer to create the first 3-D model of the viral enzyme that led to the discovery of a small-molecule inhibitor of the Severe Acute Respiratory Syndrome (SARS) virus.For more on Dr. Pang's
research, visit his
laboratory Web site.