(Press-News.org) Contact information: Jason Socrates Bardi
jbardi@aip.org
240-535-4954
American Institute of Physics
What water looks like to DNA
New computational method described in the Journal of Chemical Physics allows researchers to predict how biological molecules interact with water
WASHINGTON D.C. Nov. 19, 2013 -- A team of biochemists and mathematicians have developed a sophisticated geometric model to predict how a biological molecule will interact with water molecules, computing the results up to 20 times faster than other existing approaches. This new approach may help researchers find new drugs to treat human diseases, said the team, who described their theoretical approach in the Journal of Chemical Physics, which is produced by AIP Publishing.
"Our research explores how water can change the shape of a molecule, how different molecules can get along well in water and, ultimately, how drug molecules can hit targets with the help of water," says Bo Li, professor of mathematics and senior scientist, National Science Foundation Center for Theoretical Biological Physics, University of California, San Diego.
Biological molecules such as DNA and proteins are the building blocks of living systems, and each molecule consists of many atoms. "How these molecules self-organize is crucial to maintaining a healthy system, because a missing or deformed atom within a molecule can lead to disease," explained Li.
The human body contains numerous biological molecules, many of which are surrounded by water, which can help change their shape and affect how they interact with other molecules in the body. Up to 60 percent of the human body is water, so it's essential that this solvent be considered.
"Many biological molecules are hydrophobic (water repelling), just like a drop of oil in water, but when mixed they will eventually blend together," said Li.
Being able to quickly predict the structure of biological molecules in water by using this new theoretical approach should help improve the ability of researchers to identify new targets and may reduce the need for expensive screening of millions of drug molecules in labs.
INFORMATION:
This work is part of a joint research program initiated in the lab of J. Andrew McCammon, Joseph E. Mayer Professor of Theoretical Chemistry, Distinguished Professor of Pharmacology, and Howard Hughes Medical Institute (HHMI), University of California, San Diego, and has been supported by a grant from the National Institutes of Health and HHMI.
The article, "Phase-Field Approach to Implicit Solvation of Biomolecules with Coulomb-Field Approximation," authored by Yanxiang Zhao, Yuen-Yick Kwan, Jianwei Che, Bo Li, and J.A. McCammon, is published in the Journal of Chemical Physics. See: http://dx.doi.org/10.1063/1.4812839
ABOUT THE JOURNAL
The Journal of Chemical Physics publishes concise and definitive reports of significant research in the methods and applications of chemical physics. See: http://jcp.aip.org
What water looks like to DNA
New computational method described in the Journal of Chemical Physics allows researchers to predict how biological molecules interact with water
2013-11-20
ELSE PRESS RELEASES FROM THIS DATE:
Stanford study could lead to paradigm shift in organic solar cell research
2013-11-20
Stanford study could lead to paradigm shift in organic solar cell research
Organic solar cells have long been touted as lightweight, low-cost alternatives to rigid solar panels made of silicon. Dramatic improvements in the efficiency of organic photovoltaics have ...
New study finds no benefit to selecting dose of blood thinner based on patients' genetic makeup
2013-11-20
New study finds no benefit to selecting dose of blood thinner based on patients' genetic makeup
Largest randomized, multi-center controlled trial of gene-based strategy for warfarin dosing also found better outcome for African ...
Edoxaban effective in preventing stroke, reducing bleeding and cardiovascular death in patients with atrial fibrillation
2013-11-20
Edoxaban effective in preventing stroke, reducing bleeding and cardiovascular death in patients with atrial fibrillation
Boston, MA – According to the United States Centers for Disease Control and Prevention, over 800,000 ...
Bedroom access to screen-based media may contribute to sleep problems in boys with autism, MU researchers find
2013-11-20
Bedroom access to screen-based media may contribute to sleep problems in boys with autism, MU researchers find
Having bedroom access to television, computers or video games is linked to less sleep in boys with autism spectrum disorder (ASD), a team of University ...
Higher emotional intelligence leads to better decision-making
2013-11-20
Higher emotional intelligence leads to better decision-making
Toronto – The anxiety people feel making investment decisions may have more to do with the traffic they dealt with earlier than the potential consequences they face with the ...
Enhancing battery performance
2013-11-20
Enhancing battery performance
In APL Materials paper, researchers show how to keep cathode material 'in line' to enhance performance
WASHINGTON D.C. Nov. 19, 2013 -- The ever-increasing market for portable electronic devices such as laptops, cell phones ...
The human health costs of losing natural systems: Quantifying Earth's worth to public health
2013-11-20
The human health costs of losing natural systems: Quantifying Earth's worth to public health
Scientists urge focus on new branch of environmental health
A new paper from members of the HEAL (Health & Ecosystems: Analysis of Linkages) consortium delineates a new ...
Obesity and nutrition are keys to avoiding metabolic syndrome
2013-11-20
Obesity and nutrition are keys to avoiding metabolic syndrome
MINNEAPOLIS, MN – November 19, 2013 – Data reported by the Hearts Beat Back: The Heart of New Ulm Project reinforce the positive influence of lifestyle factors in mitigating risks that ...
Tuesday, Nov. 19, 2013 news tips
2013-11-20
Tuesday, Nov. 19, 2013 news tips
Disappearing stent continues protection for 3 years
Propping open clogged heart arteries with a "disappearing stent" has worked well for three years in the first people implanted with the unique device, according to research presented ...
Holistic cell design leads to high-performance, long cycle-life Li/S battery
2013-11-20
Holistic cell design leads to high-performance, long cycle-life Li/S battery
Berkeley Lab battery a promise for mobile, and eventually, electric vehicles with 300-mile range
Researchers at the U.S. Department of Energy's Lawrence Berkeley National Laboratory ...
LAST 30 PRESS RELEASES:
Thirty-year mystery of dissonance in the “ringing” of black holes explained
Less intensive works best for agricultural soil
Arctic rivers project receives “national champion” designation from frontiers foundation
Computational biology paves the way for new ALS tests
Study offers new hope for babies born with opioid withdrawal syndrome
UT, Volkswagen Group of America celebrate research partnership
New Medicare program could dramatically improve affordability for cancer drugs – if patients enroll
Are ‘zombie’ skin cells harmful or helpful? The answer may be in their shapes
University of Cincinnati Cancer Center presents research at AACR 2025
Head and neck, breast, lung and survivorship studies headline Dana-Farber research at AACR Annual Meeting 2025
AACR: Researchers share promising results from MD Anderson clinical trials
New research explains why our waistlines expand in middle age
Advancements in muon detection: Taishan Antineutrino Observatory's innovative top veto tracker
Chips off the old block
Microvascular decompression combined with nerve combing for atypical trigeminal neuralgia
Cutting the complexity from digital carpentry
Lung immune cell type “quietly” controls inflammation in COVID-19
Fiscal impact of expanded Medicare coverage for GLP-1 receptor agonists to treat obesity
State and sociodemographic trends in US cigarette smoking with future projections
Young adults drive historic decline in smoking
NFCR congratulates Dr. Robert C. Bast, Jr. on receiving the AACR-Daniel D. Von Hoff Award for Outstanding Contributions to Education and Training in Cancer Research
Chimpanzee stem cells offer new insights into early embryonic development
This injected protein-like polymer helps tissues heal after a heart attack
FlexTech inaugural issue launches, pioneering interdisciplinary innovation in flexible technology
In Down syndrome mice, 40Hz light and sound improve cognition, neurogenesis, connectivity
Methyl eugenol: potential to inhibit oxidative stress, address related diseases, and its toxicological effects
A vascularized multilayer chip reveals shear stress-induced angiogenesis in diverse fluid conditions
AI helps unravel a cause of Alzheimer's disease and identify a therapeutic candidate
Coalition of Autism Scientists critiques US Department of Health and Human Services Autism Research Initiative
Structure dictates effectiveness, safety in nanomedicine
[Press-News.org] What water looks like to DNANew computational method described in the Journal of Chemical Physics allows researchers to predict how biological molecules interact with water