Navigation Links
Pitt scientists find intrinsic changes in protein shape influence drug binding
Date:8/19/2009

PITTSBURGH, Aug. 19 Computational biologists at the University of Pittsburgh School of Medicine have shown that proteins have an intrinsic ability to change shape, and this is required for their biological activity. This shape-changing also allows the small molecules that are attracted to a given protein to select the structure that permits the best binding. That premise could help in drug discovery and in designing compounds that will have the most impact on protein function to better treat a host of diseases.

The findings were published this week in the online version of the Proceedings of the National Academy of Sciences.

According to the classical view, known as "induced fit," drug binding causes a change in the target protein structure, explained senior author Ivet Bahar, Ph.D., professor and John K. Vries Chair of the Department of Computational Biology, Pitt School of Medicine. But it now appears that a protein has many different conformations that are already available even without the presence of a binding molecule, which is called the ligand. The ligand attaches to the protein shape that allows it to fit well, and that close interaction can lead to effective inhibition of protein function.

Gathering information about the array of conformations a target protein might exhibit can be of great use when designing new drugs, Dr. Bahar said. That allows the scientist to better identify the structural pocket into which the drug must fit to cause significant alterations in protein function, such as the inhibition of an enzyme reaction.

For the study, Dr. Bahar and her doctoral student, Ahmet Bakan, focused on three common drug targets, namely enzymes important in HIV, inflammatory response and the cell division cycle. Using the sets of conformations of protein-ligand complexes stored in the Protein Data Bank, an information repository for the scientific community at Rutgers University, the researchers figured out what structures the enzymes had both alone and when bound to a variety of small molecules.

"It seems there are simple but robust rules that control ligand binding," Dr. Bahar explained. "If we know the rules, we can make better predictions about which binding sites to target to make more effective drugs."


'/>"/>

Contact: Anita Srikameswaran
SrikamAV@upmc.edu
412-647-3555
University of Pittsburgh Schools of the Health Sciences
Source:Eurekalert

Related medicine news :

1. New prion protein discovered by Canadian scientists may offer insight into mad cow disease
2. Scientists Probe Sepsis Deadly Secrets
3. Scientists puzzled by severe allergic reaction to cancer drug in the middle Southern US
4. Scientists Develop Natural Protection for Stored Foods
5. Scientists detect presence of marburg virus in african fruit bats
6. Scientists Spot Brains Free Will Center
7. Scientists ID Likely Culprit in Popcorn Lung
8. Scientists explain how insulin secreting cells maintain their glucose sensitivity
9. Scripps Research scientists shed new light on how antibodies fight HIV
10. Scientists, physicians present latest findings in personalized cancer treatment and prevention
11. Scientists demonstate link between genetic variant and effectiveness of smoking cessation meds
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:8/19/2017)... ... August 19, 2017 , ... Physician Partners of America Pain ... an interventional pain management physician. He brings a wealth of pain management experience ... and significant experience in spinal cord stimulation for chronic pain. , Dr. Ahmed ...
(Date:8/18/2017)... ... August 18, 2017 , ... ... LLC (“Quick”), a highly specialized asset-light logistics provider of complex transport solutions ... definitive agreement to purchase Unitrans International Corporation, a division of Roadrunner Transportation ...
(Date:8/18/2017)... ... ... The Dawn Johnson Insurance Group, a Missouri-based insurance and financial planning firm ... for efforts to educate the local population on cancer realities while attracting donations to ... , Each day in America, roughly 4,600 new cases of cancer are diagnosed and ...
(Date:8/18/2017)... Saint John, IN (PRWEB) , ... August 18, 2017 , ... ... services to communities in northwest Indiana, is campaigning in support of Campagna Academy in ... Formerly referred to as the “Hoosier Boys’ Town of Indiana,” Campagna Academy is a ...
(Date:8/18/2017)... ... 18, 2017 , ... Yisrayl Hawkins, Pastor and Overseer at The House of Yahweh in Abilene, ... on false teachings pertaining to the mother of the Savior whom the world calls “Mother ... different picture of the role of this historical woman. , “The world bows, kisses ...
Breaking Medicine News(10 mins):
(Date:8/11/2017)... CAESAREA, Israel , Aug. 11, 2017 ... company with mobile health and big data solutions, today ... results on Monday, August 14 and host a conference ... second quarter 2017 operating and financial results and its ... call will be hosted by Erez Raphael , ...
(Date:8/7/2017)... Insightin Health, provider of data-driven decision-making ... announced the selection of Michael Wood ... as of February 2017. In this role, Wood will ... our clients. Wood brings with him more than ... analytics within the healthcare industry. Wood formerly served ...
(Date:8/7/2017)... Aug. 7, 2017  Endo International plc (NASDAQ: ... to resolve virtually all known U.S. mesh product liability ... resolve the known remaining U.S. claims at reasonable values. ... in the fourth quarter of 2017 and continuing through ... second quarter 2017 results, the Company intends to increase ...
Breaking Medicine Technology: