Researchers from the University of California have developed a new computational model that will allow them to predict how biological molecules interact with water twenty times faster than other existing models.
Biological molecules such as proteins and DNAs are building blocks of all living systems. The way these molecules organize themselves plays an important role in maintaining a healthy system. A missing or deformed atom within a molecule can lead to a disease or the weakening of the body's immunity system. The human body is comprised of many such biological molecules and since 60 percent of the human body is water, researchers deem it important to understand how these molecules mix with the solvent.
Researchers have noted that water changes the shape and size of these biological molecules when the two interact with each other.
"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," said Bo Li, professor of mathematics and senior scientist, National Science Foundation Center for Theoretical Biological Physics, University of California, San Diego.
Being able to predict how certain molecules interact with the liquid can help keep diseases at bay. In an attempt to do so, researchers from the University of California have developed a new computational model that will allow them to predict how biological molecules interact with water twenty times faster than other existing models, according to a press release.
"Many biological molecules are hydrophobic (water repelling), just like a drop of oil in water, but when mixed they will eventually blend together," explained Li.
The new model will 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.
