Navigation Links
Supercomputers to focus brains on AIDS dilemma

catalytic domain and an inhibitor pointed to the existence of only one site where inhibitors could bind. These studies indicated a single format for small inhibitors of integrase to bind at the catalytic site, typically with a cyclic moiety, or "wing," to the "west" of the active center.

Around this same time, the McCammon group began new molecular dynamics studies of HIV-1 integrase using SDSC's supercomputers. As the power of computers and the sophistication of the scientists' simulation methods have advanced hand in hand, the researchers have been able to discern ever more detailed insights into the microscopic dance of molecular dynamics, where events take place in nanoseconds at length scales far shorter than the wavelength of light. By putting the molecules into motion in their simulations, the researchers discovered that there is a great deal of unexpected flexibility in this binding region, indicating that instead of only one there might be multiple ways that inhibitors could bind to the integrase enzyme.

The most recently reported of these simulations is in an article by Julie Schames, Richard Henchman, Jay Siegel, Christoph Sotriffer, Haihong Ni, and McCammon in the Journal of Medicinal Chemistry of April 8, 2004. These simulations revealed that a "trench" opens intermittently in the area of the integrase catalytic site, suggesting that it should be possible to develop inhibitors that bind with their cyclic moieties to the "east" of the active center as well as to the "west." Based on these simulations, the researchers were also able to predict that the strongest binding inhibitors should be possible with moieties on both sides, what the scientists have called "butterfly" compounds with "wings" extending to both the east and west.

"This pointed the way to new classes of drugs," said McCammon. "And it's very exciting that scientists at Merck have now verified all of this experimentally."

A paper by Daria Hazuda, a leader of M
'"/>

Source:SDSC


Page: 1 2 3 4

Related biology news :

1. Study of energy and health in Africa focuses spotlight on charcoal and forest management
2. Scientists focus on dwarf eye
3. NIH renews network focused on how genes influence drug responses
4. WCS says avian flu prevention should focus on farms, markets
5. Brains response to visual stimuli helps us to focus on what we should see, rather than all there is to see
6. Report focuses on challenges to unlocking future promise of vaccines
7. A new focus for the mechanism of nerve growth
8. First encyclopedia of nuclear receptors reveals organisms focus on sex, food
9. New light microscope sharpens scientists focus
10. Reversing hibernating heart muscle focus of UB researchers
11. Report focuses on the role good microbes play in future medicine
Post Your Comments:
*Name:
*Comment:
*Email:
TAG: Supercomputers focus brains AIDS dilemma

(Date:5/11/2015)... 11, 2015 Curemark LLC, a privately held ... a new Phase III double blind, randomized, placebo-controlled clinical ... CM-AT, on all children ages 3-8 with Autism. Previously, ... III double blinded clinical trial for CM-AT in children ... the digestive enzyme chymotrypsin. This new trial will help ...
(Date:5/5/2015)... 2015, NXT-ID, Inc. (NASDAQ: NXTD ) ("NXT-ID" ... growing mobile commerce market, reminds investors and media that  Mr. ... presenting  at CARTES SECURE CONNEXIONS AMERICA 2015, held in ... The three-day conference is organized into a series of ... themed Global Fraud: Where is the Trust in Cyberspace? ...
(Date:4/20/2015)... PASADENA, Calif. , April 20, 2015 ... San Gabriel Valley to implant a new miniaturized, wireless ... HF System is the first and only FDA-approved heart ... reduce hospital admissions when used by physicians to manage ... a sensor that is implanted in the pulmonary artery ...
Breaking Biology News(10 mins):Curemark, LLC, Launches New Phase III Trial in Expanded Population of Children with Autism 2NXT-ID, Inc.'s CTO, David Tunnell, Presents at CARTES SECURE CONNEXIONS AMERICA 2015 Today in Washington DC. 2NXT-ID, Inc.'s CTO, David Tunnell, Presents at CARTES SECURE CONNEXIONS AMERICA 2015 Today in Washington DC. 3Huntington Memorial Hospital Becomes First in the San Gabriel Valley to Offer Patients a New Heart Failure Monitoring Solution 2Huntington Memorial Hospital Becomes First in the San Gabriel Valley to Offer Patients a New Heart Failure Monitoring Solution 3
... plate may soon take on a literal meaning. Diane Bisson, ... Design, has fashioned edible plates that are practical, stylish and ... which has resulted in a book highlighting more than 50 ... Material. "The idea of using food to support a ...
... of Georgia scientists looking to understand the genetic mechanisms ... first time in plants an inverse relationship between gene ... diversity not only in plants, but in animals and ... this week,s Proceedings of the National Academy of ...
... , , TORONTO, Dec. 7 ... acquired the assets of the healthcare communications company previously operating ... now move forward under new leadership and funding. , IgeaCare ... of Chief Executive Officer. Under his direction, the new company ...
Cached Biology News:Plate-eating good: Université de Montréal professor designs edible tableware 2Study finds new relationship between gene duplication and alternative splicing in plants 2Study finds new relationship between gene duplication and alternative splicing in plants 3IgeaCare Solutions Inc. Emerges Under New Leadership and Funding 2
(Date:5/21/2015)... -- Prima Biomed Ltd. (NASDAQ: PBMD ) a globally ... leader in the development of immunotherapeutic products for the ... data from the Phase II CAN-003 ovarian cancer clinical ... meaningful improvement in Overall Survival ("OS") over standard of ... the group of second remission patients (n=20), the median ...
(Date:5/21/2015)... 2015 W. R. Grace & ... in Worms, Germany has received good manufacturing practice ... the International Pharmaceutical Excipient Council (IPEC) Foundation. ... its SYLOID® FP brand of pharmaceutical grade excipient ... the Curtis Bay, Maryland (USA) and Sorocaba, Brazil ...
(Date:5/21/2015)... Research and Markets ( http://www.researchandmarkets.com/research/84975r/2015_global ... "2015 Global Survey on Flow Cytometry Adoption Trends" ... primary goal of this research is to analyze ... Key information the survey seeks to collect include ... predominantly used applications for flow cytometers, respondents, most ...
(Date:5/20/2015)... Calif. , May 20, 2015 ... today presented preliminary data demonstrating the ability of ... pulmonary fibrosis (IPF) from other interstitial lung diseases ... suggest the classifier,s potential to help thousands of ... resolve ambiguity in IPF diagnosis – a frequent ...
Breaking Biology Technology:Correction Continues after Big Move - BrokerBank Securities, Inc. 2Grace European Facility Receives GMP Excipient Certification for SYLOID® FP Silica Gel 2Global Survey on Flow Cytometry Adoption Trends 2015 2Veracyte Presents Preliminary Data Demonstrating Ability of Molecular Classifier to Improve Non-Surgical IPF Diagnosis Using Bronchoscopy Samples 2Veracyte Presents Preliminary Data Demonstrating Ability of Molecular Classifier to Improve Non-Surgical IPF Diagnosis Using Bronchoscopy Samples 3Veracyte Presents Preliminary Data Demonstrating Ability of Molecular Classifier to Improve Non-Surgical IPF Diagnosis Using Bronchoscopy Samples 4Veracyte Presents Preliminary Data Demonstrating Ability of Molecular Classifier to Improve Non-Surgical IPF Diagnosis Using Bronchoscopy Samples 5
... - Angiotech Pharmaceuticals,Inc. (NASDAQ: ANPI , TSX: ... today announced the filing of its audited,consolidated financial ... ended December 31, 2007 and the restatement of ... December 31, 2006., For the year ended ...
... Calif., March 13 Bionovo, Inc.,(Nasdaq: BNVI ... Ph.D., to,the company,s Board of Directors. Dr. Butler ... and in particular in,advancing cancer drug development and ... have George on board as we move into ...
... LEUVEN, Belgium, March 13 ThromboGenics NV,(Euronext Brussels: ... announces a business update and its financial results ... During this period,ThromboGenics has raised additional funds to ... make good progress with its clinical,programs., Highlights, ...
Cached Biology Technology:Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 2Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 3Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 4Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 5Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 6Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 7Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 8Angiotech announces filing of audited financial results for the year ended December 31, 2007 and restatement of results for the year ended December 31, 2006 9George Butler Joins Bionovo's Board of Directors 2George Butler Joins Bionovo's Board of Directors 3ThromboGenics Announces 2007 Full Year Results 2ThromboGenics Announces 2007 Full Year Results 3ThromboGenics Announces 2007 Full Year Results 4
Anti-DNA Polymerase a, Human Description: 50 l Research Focus: cancer & cell proliferation Storage: 4C Shipping Temperature: 4C...
... kit for 25 chips provides the chips ... analysis (at picogram levels) with the Experion ... RNA HighSens microfluidic chips, 2 x 1,250 ... RNA HighSens stain, 20 microliters RNA ladder, ...
Monoclonal Anti-Cystatin A tissue culture supernatant Solution containing 15 mM sodium azide human cystatin A ...
... kit provides all the accessories necessary for ... conformation polymorphism analysis (SSCP) with the DCode ... a cooling finger adaptor for use with ... of 20 cm plates, 2 sets of ...
Biology Products: