The method, which uses physical techniques of mechanical   quantum and has been led by researchers from Council   for Scientific Research (CSIC) in collaboration with the company   technological base Biomol-Informatics, published in the journal   Biochemistry.

"The advantage of the new computational method is that we can begin   to make new molecules that fit like a glove in the protein   simulated and thus modulate their activity. This we did with a protein   bacterial and design three new molecules that will   probably the germ of a new family of antibiotics "   explains Paulino Gómez-Puertas, CSIC researcher at the Center   Bilogía Molecular "Severo Ochoa" (CSIC-Universidad Autónoma   de Madrid).

proteins involved in many processes related to health   and disease. The intelligent design of drugs is based on   knowing the structure of proteins atomic detail levels   to accurately adjust the new chemical compounds   become medicine.

The new method has already been successfully used by this group of   scientists with the human HRAS oncogene implicated in cancer.   Now they have repeated F1-ATPase protein, which is responsible for providing   Energya cells and is involved in processes   diseases, including certain types of cancer.

Fernando Martín-García, Jesús I. Mendieta-Moreno,   Iñigo Marcos Mayor, Paulino Gómez-Puertas, and Jesus   Mendieta. Water Catalytic Activation simulation of F1-ATPase in Mitochondrial   Using a Hybrid Quantum Mechanics / Molecular Mechanics Approach: An Alternative   Role for ß-Glu 188. Biochemistry. DOI: 10.1021/bi301109x.

Photography By Azatoth (self made based on PDB   entry) [Public domain], via   Wikimedia Commons