Argenta Discovery Argenta Discovery Limited was founded on 2 August 2000 as a spin-out from Aventis’ UK Research Centre. On 7 October 2004, Argenta merged with another UK biotechnology company, Etiologics Limited, which itself commenced...
Assay development and screening
Argenta undertakes entire discovery programmes for our clients, from target to candidate, integrating chemistry, physical sciences, CADD, biology and ADMET
CADD
Its medicinal chemists are used to working closely with colleagues in Argenta's computer-aided drug design (CADD) group. In addition to face-to-face...
Integrated Drug Discovery
Argenta undertakes entire discovery programmes for our clients, from target to candidate, integrating chemistry, physical sciences, CADD, biology and ADMET....
Chemical Computing Group Inc. CCG strives to provide state of the art applications in Drug Discovery to Pharmaceutical, Biotech and Academic researchers. It is through interaction and collaboration with our customers that we are able to deliver unique...
Gelest Inc. Gelest, Inc., headquartered in Morrisville, PA, USA, was founded in 1990 to serve the advanced technology applications markets and is recognized worldwide as an innovator, manufacturer and supplier of Organo-Silicon and...
Synergix Ltd. Synergix Ltd. was founded in 1996 by Dr. N.C Cohen, a pioneer of rational drug design. The company is dedicated to developing educational resources for drug design, molecular modeling, cheminformatics and medicinal...
Medicinal Chemistry
You are a medicinal chemist working on a challenging drug discovery project. Your main background in synthetic chemistry has meant that up until recently...
Molecular Conceptor Learning Series
The "Molecular Conceptor Learning Series" is an innovative, computer-based learning solution that aims to bring together, in a ready-digested format,...
Decision Informatics, Ltd. Decision Informatics is a custom research and consulting firm dedicated to helping Life Science organizations leverage data for effective decision making. Our highly motivated, creative, and versatile scientists have...
Drug Design
We guide teams to fully leverage information to prepare compounds with a reasonable probability for acceptable pharmacokinetics and help leverage all data...
Technical Expert for Intellectual Property Issues
We provide services of technical expertise in the patent arena. Our experience in drug design encompasses a broad range of issues including potency...
Irix Pharmaceuticals IRIX Pharmaceuticals, Inc. is a privately held company engaged in the generation of process technology for new and existing drugs.
IRIX offers the full capability of supplying API's and complex pharma intermediates from...
Partnering computer-aided techniques with high-throughput screening seen as the new gold standard in drug design.
Computer-aided virtual screening (VR) answers the question of how scientists working on new drug design can rapidly reduce a huge library of compounds down to a manageable size. In silico screens are faster and less expensive than high-throughput screens. “Because HTS data is not trustworthy for building predictive models, scientists are instead using the high-quality data generated by biologists within project campaigns to design models,” according to Frank Brown, VP and CSO of Accelrys. “They then rely on virtual screening to identify well-defined compound sets, often a focused library, which can be used to guide the preparation of HTS plates to screen against a particular target class.”
While VR technology is usually viewed as a way to generate a prioritized list of targets in order to eliminate the need for as many high-throughput screens, “It has also been shown that the ‘hits’ from VS [virtual screening] when compared to HTS [high-throughput screening] are often diverse and independent, suggesting that VS and HTS might be considered complementary methods,” according to R. Brenk, et al. in The Journal Bimolecular Screening. The pairing of these two technologies should act as an accelerator for the drug development industry.
Best-in-Class Computer Aided Drug Design Providers:
Has access to enough computing power to handle several independent variables and extremely large matrices
Utilizes advanced multivariate analysis tools like PCA, PLS, CPCA
Willing to educate customer’s staff about capabilities and limitations of CADD
Top Considerations Before Selecting Computer Aided Drug Design Provider:
Don’t be fooled by providers that guarantee a large number of hits. Success of a virtual screen is defined by the number of interesting new scaffolds found rather than by the total number of hits, since this may include many scaffolds that have been previously indentified.
Key Producers:
1. Computer-aided drug design is one of the tools employed by WuXi AppTec’s Integrated R&D Services which the company reports as being a “broad and integrated portfolio of laboratory and manufacturing services throughout the drug and medical device R&D process.” Other services offered by this global enterprise are Pharmaceutical, Biologics, Combination, Medical Device and Toxicology Services. WuXi AppTec was established in 2000 and has operations in China and the United States.
2. Argenta Discovery Limited's computer-aided drug design group works closely with its medicinal chemists to enable them to visualize the modeling results. Its specialty is integrated small molecule drug discovery services. It can take over any or all aspects of a customer's drug discovery program, including hit identification, hit-to-lead and lead optimization. Argenta’s scientists have experience with all small molecule target classes such as GPCRs, kinases, proteases and other enzyme families, nuclear receptors, integrins and ion channels. Argenta is a UK-based fee-for-service contract research business that also offers risk-sharing deals. Argenta spun off from Aventis’ UK Research Centre in 2000 and merged with Etiologics Limited in 2004.
3. Synergix Ltd's Molecular Conceptor Learning Series is an interactive, multi-media e-learning course that covers knowledge of medicinal chemistry, drug design, cheminformatics, structural bioinformatics and molecular modeling, including computer assisted drug design. Each module, which uses interactive 3D technology, practical examples and case studies, covers a drug discovery-related topic, beginning with basic principles. The company reports that "Molecular Conceptor is currently used by more than 450 academic institutions and pharmaceutical companies worldwide." Synergix was founded in 1996 to develop educational resources for drug design, molecular modeling, cheminformatics and medicinal chemistry.
4. Novartis' Computer-Assisted Drug Discovery group in Cambridge, MA is an integral part of the Cambridge Medicinal Chemistry group, but is fully interconnected with Novartis' Global CADD community. Novartis is a multinational pharmaceutical company that is involved in publicly funded collaborative research projects as well as its internal drug research and development program. Novartis reports that in 2009 they "invested USD 7.5 billion in research and development. This is one of the highest figures in the industry relative to sales (17%)." This global company, which operates in 140 countries, was created in 1996 through the merger of Ciba-Geigy and Sandoz. Headquarters are in Basel, Switzerland.
Computer Aided Drug Design Definition: Computer-assisted drug design uses computer software to discover new drugs. Virtual screening (VS) involves docking 3-D models of candidate ligands into a 3-D model of a protein target and then applying a scoring function to estimate the likelihood that the ligand will bind to the protein with high affinity.
A free 300 page report that summarizes population-level data on key biomarkers and demographics from NHANES (National Health and Nutrition Examination Survey) 2005-2008.
The report is broken into three sections:
1. A summary of rates of missing values for individual variables and common missing data patterns.
2. Univariate analysis - This section characterizes the population distribution ...
The Archimedes Model is a clinically realistic simulation model of human physiology, diseases, behaviors, interventions, and healthcare systems. Because of the Model’s complexity and the importance of the questions it can help answer, we conduct a rigorous suite of re-validations on an ongoing basis. This paper describes how these validations are done.
GraphLogic Inc. GraphLogic Inc. sgold@graphlogic.com dbaker@graphlogic.com
Abstract An Executable Graph Component Database (EGCD) for defining and executing computer programs is described. An EGCD incor- porates every aspect of a computing program, including process flow and logic, user interface definition, database schemas and persistent data. The major elements of an EGCD system are de- ...
Presently, pharmaceutical companies are adopting targeted and rational drug discovery route. Traditional novel drug discovery programs were essentially based on the screening of a library of chemical compounds developed by a combinatorial chemistry approach. For this, a target protein molecule was essential for designing a drug. Only a small number of specific drug targets were available earlier. ...
Fulfilling the promise of medicine together
Fundamentals in Drug Safety Strategies John McLane, Ph.D. Clinquest, Inc.
Risk and Benefit management processes have become exceedingly complex in today's drug development environment. Starting from the preclinical assessments to the full Risk Evaluation and Mitigation Strategies (REMS) for the Safe Use of pharmaceutical products, risk management has ...
A large pharmaceutical company was in the process of designing a Phase III clinical trial for
a diabetic agent. In the trial design phase, they needed to develop a strategy to maximize
the probability that the population they enrolled would experience enough MACEs to ensure
that the company had appropriately powered the trial.
Selection of a pre-clinical drug candidate for advancement to clinical trials is a critical
decision. Large clinical trials often require years of observation and cost millions of dollars.
When a clinical trial runs over schedule, drug developers can lose over $600,000 a day in
sales for smaller niche products and over $8,000,000 a day for blockbuster drugs. Adding to
this problem, the ...
In 2002 some physicians at Kaiser Permanente came up with an idea: What if KP members
with diabetes or CAD were systematically given a bundle of drugs consisting of aspirin,
lovastatin (a cholesterol drug) and lisinopril (a blood pressure drug) – called “A-L-L”? Their
clinical intuition told them that it should have an important effect on complications, but there
was no direct evidence of ...
The Preventive Health Partnership, a collaboration between the ACS, AHA, and ADA, wanted to identify which individual single or combined health care prevention activities, when implemented throughout adulthood, will lead to improvements in health, quality of life, and medical costs for patients who enter Medicare during the years spanning 2009-2033.
Although a three-year
clinical trial called the Diabetes Prevention Program (DPP) comparing current care,
metformin, and lifestyle modification was just being completed, the ADA wanted to compare
the expected effects of the different strategies on long-term health and economic outcomes,
as well as answer several other questions beyond the scope of the DPP trial. The only feasible
way to get ...
Have you ever wanted to run trials for 10 years, 20 years or 60 years? Or run huge trials with hundreds of thousands or even millions of people?
Math is ...
Company descriptions and contact
information are quoted
from the company's website or other promotional information. JAZ'D is not responsible for
the accuracy
of this information. Unless specifically noted, JAZ'D is not sponsored by, affiliated with
or otherwise
connected with any of the listed companies.