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| | Drug discovery - Wikipedia, the free encyclopedia |
 | | This does not imply that the mechanism of action of drugs that are thought to act through a particular established targets is fully understood. | | | The process of drug discovery involves the identification of candidates, synthesis, characterization, screening, and assays for therapeutic efficacy. | | | While HTS is a commonly used method for novel drug discovery, it is not the only method. |
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http://en.wikipedia.org/wiki/Drug_discovery
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| | C&EN: SCIENCE & TECHNOLOGY - STRUCTURE-BASED DRUG DESIGN |
| | drug discovery is certainly one of the goals of structure-based drug design, Structural Genomix' Milburn cautions against thinking of it in those terms. | | | Crystallography is not the only technique being used for structure-based drug design. | | | Structure-based drug design is at its most powerful when coupled with combinatorial techniques. |
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http://pubs.acs.org/cen/coverstory/7923/7923drugdesign.html
(5269 words)
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| | IRB Information Sheets--Drugs and Biologis - Updated 9/98 |
| | In these situations, active-control trials showing no difference between the new drug and control are of little value as primary evidence of effectiveness and the active-control design (the study design most often proposed as an alternative to use of a placebo) is not credible. | | | The guideline was developed amidst growing concerns that the drug development process did not provide adequate information about the effects of drugs or biological products in women and a general consensus that women should be allowed to determine for themselves the appropriateness of participating in early clinical trials. | | | Emergency use is defined as the use of an investigational drug or biological product with a human subject in a life-threatening situation in which no standard acceptable treatment is available and in which there is not sufficient time to obtain IRB approval [21 CFR 56.102(d)]. |
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http://www.fda.gov/oc/ohrt/irbs/drugsbiologics.html
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| | Drug Design and Development |
| | http://www.aapspharmaceutica.com/ScientificJournals/research/index.htm: Modern Drug Discovery: From Concept to Development, Drug Discovery and Development, and Pharmaceutical Research are among the journals written by and for the drug development professional. | | | As exciting as the past century has been for drug development, the recent sequencing of the human genome will allow medications and therapies to have an even more profound impact upon health care in years to come. | | | The Center's mission is to translate advances in basic sciences to clinical medicine by better understanding the basic physiological mechanisms involved in response to drug therapy. |
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http://www.minimed.pitt.edu/MM2001/drug.htm
(1180 words)
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| | Molecular Design: Rational Drug Discovery, Biomaterials and Nanotechnology |
| | This initiative contributes to the development and refinement of next-generation drugs and materials used in a variety of applications including Rational Drug Design and Nanobiology. | | | The manner in which new drugs are being developed has changed radically due to our increased understanding of molecular biology. | | | For additional information on drug discovery and nanobiology, contact Dr. |
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http://informatics.umdnj.edu/research/molecular_design.htm
(652 words)
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| | ECSTASY AND ILLEGAL DRUG DESIGN + |
| | Ecstasy is not a designer drug in the legal sense, as defined by the DEA to proscribe it: | | | Health messages need to be targeted at the dance drug lifestyle rather than at the effects of a single pharmacology as has been the case with traditional patterns of drug use. | | | The term 'dance drug scene' is used in this article to cover all of the dance/house/garage/techno/rave/club scene which has evolved in Scotland since 1988 and where (dance) drugs such as Ecstasy, amphetamines or LSD have allegedly been used. |
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http://www.drugtext.org/library/articles/956311.html
(7965 words)
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| | Organic Chemistry of Drug Design and Drug Action Short Course |
| | Drug Development: Lead Modification-identification of the active part: the pharmacophore; functional group modifications; structure-activity relationships; structure modifications to increase potency and therapeutic index; quantitative structure-activity relationships; molecular graphics-based drug design. | | | Drug Metabolism--synthesis of radioactive compounds; analytical methods in drug metabolism; pathways for drug deactivation and elimination. | | | Learn how to discover leads, develop leads into drugs, and understand how drugs work. |
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http://www.acs.org/portal/a/c/s/1/acsdisplay.html?id=fda511d6803111d5e6103fba9e800100
(511 words)
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| | Drug design - Wikipedia, the free encyclopedia |
| | Drug design is the approach of finding drugs by design, based on what the drug is targeting. | | | Other approaches may be to enhance the normal pathway by promoting specific molecules in the normal pathways that may have been affected in the diseased state. | | | Typically a drug target is a key molecule involved in a particular metabolic or signalling pathway that is specific to a disease condition or pathology. |
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http://en.wikipedia.org/wiki/Rational_drug_design
(412 words)
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| | QSAR and Drug Design |
| | For example, geometry optimization may be used to "relax" the structures and to identify low energy orientations of drugs in receptor sites. | | | QSAR currently are being applied in many disciplines, with many pertaining to drug design and environmental risk assessment. | | | Once potential drugs have been identified by the methods described above, other molecular modeling techniques may then be applied. |
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http://www.biochem.vt.edu/modeling/qsar_drug.html
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| | Drug Design |
| | The relationship between drug discovery and bioinformatics is discussed. | | | The article points out that drug development requires modeling a complex bimolecular system. | | | Find the QSAR section of the Drug Design Resources home page, and click on "Theoretical Background". |
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http://cnx.org/content/m11113/latest
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| | Survival of the Fittest in Drug Design |
| | Currently, most major pharmaceutical companies use rational drug design and evolutionary techniques such as genetic algorithms as part of the drug discovery process. | | | This is further complicated by the fact that in the three-dimensional world, there are many ways the drug molecule could approach the receptor. | | | Evolutionary techniques can help achieve the design of totally new molecules, some that were never even thought of before. |
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http://pubs.acs.org/subscribe/journals/mdd/v03/i09/html/felton.html
(2352 words)
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| | Weird Science: Projecting the Effects of Medicare’s Odd Drug Benefit Design |
| | Any changes in their monthly drug expenses will most likely come from adding or switching maintenance therapies. | | | Third, there will be a year-end “pile up” in the Medicare drug “dough-nut” hole. | | | These differences in estimates can be attributed to the greater precision that can be achieved by a more thorough econometric analysis of the kind conducted by ARC/Kaiser. |
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http://www.heritage.org/Research/HealthCare/wm674.cfm
(1641 words)
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| | BIOC3010 (Structure-based drug design) |
| | Major focus is on the computational/knowledge-based aspect of drug design, but experimental methods such as NMR, Biacore, ITC are also described. | | | The course is rounded off by a lecture on how to manage the business aspects of drug discovery, so that you benefit maximally from the fantastic drug you have discovered. | | | Presently the course contains sections on techniques at all stages in the drug design cycle. |
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http://enzyme.ucd.ie/Teaching/BIOC3010
(409 words)
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| | Drug Discovery and Development - RTI International |
| | Drug discovery and development is a core research activity at RTI International. | | | From this celebrated achievement to our current work in screening natural products to derive anti-cancer compounds, developing new compounds for the treatment of drug addiction, depression, obesity, and male fertility, RTI has been at the forefront of drug discovery research. | | | Our drug discovery activities are supported by a broad range of specialized development services listed below. |
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http://www.rti.org/page.cfm?objectid=F15F1785-4917-49BE-9E06CFF15672C697&nav=428
(438 words)
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| | Robert Vince - Research Details - Center for Drug Design - Academic Health Center at the University of Minnesota |
| | Since most of the successful anti-tumor drugs are nucleoside analogs, we continue to work in this area for the discovery of new cancer drugs. | | | The second approach is to produce a synthetic equivalent to the naturally-produced vancomycin drug. | | | In fact, the development of our anti-viral program and the successful design of the AIDS drug, was a spin off of our anti-cancer drug program. |
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http://www.ahc.umn.edu/cdd/Member_Directory/Robert_Vince/Robert_Vince_detail.html
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| | Drug Design and Synthesis - RTI International |
| | Our chemists are experts in modern design, modeling, synthesis, analytical, and identification techniques, and our facilities include an in-house radiosynthesis laboratory, state-of-the-art nuclear magnetic resonance capabilities, and array synthesis capabilities, giving RTI the ability to satisfy any and all of our clients' synthetic discovery needs. | | | Our chemists design and synthesize compounds using both traditional rational drug design methods and more modern combinatorial/array methods. | | | Our research focuses on steroidal targets, cancer, and drug addiction. |
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http://www.rti.org/page.cfm?nav=512
(440 words)
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| | Drug Design - SMi Group - Event Details - Overview |
| | SMi have received ongoing feedback over the last 2 years from those at the very forefront of this challenging field which enables us to bring this event up to date to keep on the cutting edge of drug design developments. | | | Indeed, there has already been considerable improvement in increasing drug potency and specificity, with huge commercial impact world-wide. | | | · INTEGRATED DESIGN: Assess how the various processes in drug design are being integrated to increase efficiency |
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http://www.smi-online.co.uk/events/overview.asp?is=4&ref=1361
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| | Structure-Based Drug Design 2003 |
| | Some recently developed novel screening techniques to perform site-specific screening will be discussed with the emphasis on the development of new drugs for the treatment of diabetes and obesity. | | | Join us to also hear several case studies of successful generation of leads from structure-based design and medicinal chemistry efforts and learn how to apply these approaches to make your own discovery and development more efficient and productive. | | | Inhibition of BACE has become a key strategy in the race to develop therapeutic agents for this debilitating condition. |
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http://www.healthtech.com/2003/sbd/index.asp
(2336 words)
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| | CHI's Structure-Based Drug Design |
| | Our services are available either through drug design partnerships or through lead licensing opportunities. | | | Some of the most interesting advancements in the drug discovery process have been made through the implementation of structure-based drug design principles. | | | Virtual screening is becoming an increasingly popular technique in the pharmaceutical industry for the identification of leads in the drug discovery process. |
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http://www.healthtech.com/2002/sbd
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| | STRUCTURE-BASED DRUG DESIGN |
| | Crystallography is an essential technique of modern drug discovery but to be most effective it needs to be coupled in an iterative, high throughput loop with the parallel synthetic methods of combinatorial chemistry, and high throughput screening assays. | | | The crystal structure of Ftase with our lead inhibitors Benzo[f]perhydroisoindole (BPHI) and Chromane series are described which provides the first view of FPP and CaaX competitive inhibitors. | | | We have developed methods for clustering protein families utilizing knowledge-based threading, structure-structure superpositions, structure-sequence superpositions and structure clustering methods. |
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http://www.xensei.com/users/chi/2001/sbd
(3417 words)
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| | Drug Discovery: Science Online Special Feature |
| | Find out more about why this message is appearing and what you can do to make your experience on this site better. | | | Protein Kinase Inhibitors: Insights into Drug Design from Structure | | | Making the Leap: When, How, and Why a Career in Drug Discovery May Be Right for You |
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http://www.sciencemag.org/sciext/drugdisc
(466 words)
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| | Amazon.com: Pharmacokinetics and Metabolism in Drug Design (Methods & Principles in Medicinal Chemistry): Books: Dennis ... |
| | Particular emphasis is placed on the impact of pharmacokinetic parameters on the discovery of new drugs - one of the most challenging tasks in global pharmaceutical research. | | | Van de Waterbeemd, Drug Metab, New York, Activity Relat, Drug Discov, Drug Research, Eds Testa, Pharmacokinetic Optimization, Plenum Press, Drug Dispos, Eds Borchardt, Eds Pliska, Raevsky H-bond | | | Subjects > Medicine > Reference > Drug Guides |
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http://www.amazon.com/exec/obidos/tg/detail/-/3527301976?v=glance
(900 words)
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| | Peptide Folding, Membrane Interactions & Drug Design |
| | The focus of this research group lies in the analysis of biomembrane interactions and peptidomimetic drug design in relation to a number of fundamental areas of modern biochemistry. | | | However, a precise understanding of the relationship between antimicrobial peptide structure and their cytolytic function in a range of organisms is still lacking. | | | We are currently designing novel peptide and peptidomimetic based inhibitors of these enzymes in order to develop more effective approaches for the treatment of cardiovascular disorders |
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http://www.med.monash.edu/biochem/research/projects/peptide.html
(2396 words)
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| | Bioinformatics in Computer-Aided Drug Design |
| | BISTI’s working definition of bioinformatics included its use in biomedical research, in particular for drug discovery and development programs. | | | There are several key areas where bioinformatics supports CADD research. | | | CADD methods and bioinformatics tools offer significant benefits for drug discovery programs. |
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http://www.b-eye-network.com/view/852
(1131 words)
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| | Drug Design Website : Introduction |
| | Drug design and drug discovery are of critical importance in human health care. | | | This is particularly important in addressing species specificity for a particular biological system. | | | In applying a rational approach to a drug design project, scientists perform experiments to gain greater understanding of drug-receptor interactions in order to delineate the different molecular forces involved in binding interactions and the molecular recognition process. |
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http://www.imb-jena.de/~rake/Bioinformatics_WEB/dd_introduction.html
(367 words)
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| | Intelligent Drug Design |
| | Given a (small) set of drugs with therapeutic effect | | | , on the basis of this set present a description of the class of drugs with the therapeutic effect | | | construct drug(s) that are the most typical elements in the above class |
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http://www.cs.unb.ca/~dima/idd.html
(850 words)
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| | Virtual Laboratory: "Molecular Modelling for Drug Design" on World Wide Grid |
| | Molecular Modeling for Drug Design on P2P Grid, First IEEE/ACM International Symposium on Cluster Computing and the Grid (CCGrid 2001), May 15-18, 2001, Brisbane, Australia. | | | Rajkumar Buyya, Kim Branson, Jon Giddy, and David Abramson, The Virtual Laboratory: Enabling Molecular Modelling for Drug Design on the World Wide Grid, Concurrency and Computation: Practice and Experience (CCPE) Journal, Volume 15, Issue 1, Pages: 1-25, Wiley Press, USA, January 2003. | | | Enabling "Molecular Modelling for Drug Design" on the World Wide Grid |
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http://www.gridbus.org/vlab
(473 words)
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| | TAU Center for Drug Discovery, Design and Development (4xD) |
| | To train graduate and undergraduate students in a variety of relevant aspects of modern drug research. | | | To organize academic, industrial and public workshops and symposia dealing with issues related to drug discovery, design and development. | | | The dramatic increase in the complexity of drug research is enforcing changes in the institutional basis of this interdisciplinary endeavor. |
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http://www.tau.ac.il/research/proposal.html
(474 words)
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| | Computational Chemistry and Computer-Assisted Drug Design: Practical Approaches |
| | Improve your ability to face the challenges of this vital research area. | | | Computational Chemistry and Computer-Assisted Drug Design: Practical Approaches | | | Learn how to integrate experiments and molecular modeling. |
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http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=education\professional\scbp12.html
(451 words)
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| | Drug Design Sites |
| | Flo is very often used in conjunction with the drug design program "Growmol", written by Regine Bohacek. | | | Specialties here are tools to analyze, manipulate and transform molecular fields. | | | Typically, it is applied to structure-based drug design in combination with molecular docking or de novo structure generation programs. |
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http://www.hsc.wvu.edu/sop/compchem/drug_design_sites.html
(810 words)
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| | Drug Design |
| | I even heard someone say in a television documentary: We have bought a Cray supercomputer to design anti-cancer drugs. | | | Structure-based Drug Design, Verlinde, C.L.M.J., Hol, W.G.L., Structure 2 (1994) 577-587 | | | It requires even more disciplines to make a drug from the ligand. |
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http://wwwcmc.pharm.uu.nl/moret/drugdesign/home.html
(206 words)
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| | BSP :: Current Pharmaceutical Design Home Page |
| | Each thematic issue of Current Pharmaceutical Design covers all subject areas of major importance to modern drug design, including: medicinal chemistry, pharmacology, drug targets and disease mechanism. | | | A Guest Editor who is an acknowledged authority in a therapeutic field has solicits for each issue comprehensive and timely reviews from leading researchers in the pharmaceutical industry and academia. | | | Current Pharmaceutical Design publishes timely in-depth reviews covering all aspects of current research in rational drug design. |
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http://www.bentham.org/cpd
(124 words)
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| | Accommodating Protein Flexibility in Computational Drug Design -- Carlson and McCammon 57 (2): 213 -- Molecular ... |
| | Masukawa KM, Carlson HA and McCammon JA (2000) Technique for developing a pharmacophore model that accommodates inherent protein flexibility: An application to HIV-1 integrase, in Pharmacophore Perception, Development, and Use in Drug Design (Güner OF ed)in press, International University Line, La Jolla, CA. | | | flexibility and drug discovery through ligand-docking and pharmacophore | | | have not been used in drug discovery applications, these methods |
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http://molpharm.aspetjournals.org/cgi/content/full/57/2/213
(4197 words)
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| | 2003 GRC on Computer Aided Drug Design |
| | This conference has been re-named; from the mid-1970's to 2001, it was called Quantitative Structure Activity Relationships (QSAR). | | | A Chemist's View of the HERG Potassium Channel | | | Computational Biopharmaceutics: In silico models for drug discovery, development, and regulation |
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http://www.grc.uri.edu/programs/2003/cadd.htm
(273 words)
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| | Wong |
| | Also, it is a useful strategy to employ a hierarchical approach to computer-aided drug design in which simpler but faster methods are first used to examine a large number of real or virtual compounds and more sophisticated but slower methods are then used to further evaluate a smaller number of compounds that warrant further exploration. | | | We have been constructing components of such a hierarchical approach by using existing methodologies as well as methods developed in our own laboratory. | | | Our research involves the development and applications of computational methods to study biomolecular structure, dynamics, and function and to aid the design of bioactive compounds. |
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http://www.umsl.edu/~chem/faculty/wong/wong.html
(909 words)
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| | Center for Drug Discovery |
| | The Center for Drug Discovery promotes a strong multidisciplinary approach to pharmaceutical research and graduate studies, embracing a variety of activities from computer-aided drug design and medicinal chemistry to pharmacokinetic and pharmacodynamic programs, drug stability and formulation development, drug metabolism and toxicity. | | | Studies on the general "soft drug" concept (the opposite end of the chemical delivery systems in the retrometabolic design) involve soft analogs for anticholinergics and inactive metabolite-based soft drugs (steroids, beta-blockers). | | | The focus has been on general methods for targeting (differential delivery) of a variety of drugs (antiviral, anticancer, antiinflammatory and antidementia agents, gonadal steroids for central control of biological processes, etc.) into the central nervous system (chemical delivery systems). |
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http://www.cop.ufl.edu/centers/cdd
(247 words)
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| | BSP :: Letters in Drug Design & Discovery Home Page |
| | Letters in Drug Design and Discovery publishes original letters on all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. | | | The journal is essential reading to all pharmaceutical scientists involved in research in drug design and discovery. | | | The emphasis will be on publishing quality papers very rapidly. |
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http://www.bentham.org/lddd
(134 words)
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| | Drug Design V - SMi Group - Event Details - Overview |
| | Already we have seen considerable improvements in drug potency and specificity having a huge commercial impact worldwide. | | | Recent advances in the field, including computational chemistry, combinational chemistry and pharmacognosy, may have the ability to overcome the shortcomings of conventional techniques and revolutionise drug design methodologies. | | | SMi’s ‘Drug Design V’ will address how both the pharmaceutical and biotechnology industries can identify early failures whilst increasing the number of potential hits quicker and faster with new techniques being made available. |
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http://www.smi-online.co.uk/events/overview.asp?is=4&ref=2207
(213 words)
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| | Drug design. |
| | New drugs are enumerated which can be folded into a similar appearance. | | | If the receptor site geometry is unknown and the ligands are flexible, then the designer must first posit the configurations of the ligands in their bound state by assuming that their active groups are in similar places. | | | If those other molecules are rigid, the problem becomes one of identifying the substructures or active groups that contribute to the fit. |
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http://people.csail.mit.edu/seth/pubs/taskforce/paragraph3_11_0_0_3.html
(203 words)
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| | Dr Garrett M. Morris |
| | DIS = Drug Information System) contains some 400,000 drugs. | | | Three-dimensional molecular structure is one of the foundations of structure-based drug design. | | | The Three-Dimensional Drug Structure Databank - an NIH collection of experimental and approved therapeutic agents whose structures have been experimentally determined or built. |
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http://www.scripps.edu/mb/olson/people/gmm
(3985 words)
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| | MDI Symposium 00:"Drug Design" |
| | The "Drug Design and Discovery" meeting gratefully acknowledges the financial support of: | | | The meeting provided many interesting perspectives on how the science and the technology of drug discovery are changing and will continue to change in the era of combinatorial chemistry and genomics. | | | Created by Malin Young, the figure used for the "Drug Design and Discovery" meeting and, in a different view, for the Year 2000 DOCK User Group Meeting is a cross sectional view of the active site of serine peptidases. |
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http://mdi.ucsf.edu/SDDD_meeting.html
(266 words)
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| | 2005 GRC on Computer Aided Drug Design |
| | "Thermodynamic Approaches in Drug Design: High Affinity, Selectivity, Adaptability" | | | "Plasma protein binding of drugs: 100 years of study - accurate prediction?" | | | "Recent Advances in Using Multiple Protein Structures for Drug Discovery" |
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http://www.grc.uri.edu/programs/2005/cadd.htm
(373 words)
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| | drug.design |
| | Interaction Energies: their role in drug design, Pettitt and Karplus, Topics in Molecular Pharmacology, (1986) _3_ 76-113. | | | Lisa Balbes' Guide to Rational (Computer-Aided) Drug Design February 1992 Conventions: Definitions are indicated by an =. | | | Emerging Technologies and New Direction in Drug Abuse Research, Ed. |
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http://www.ccl.net/cca/documents/drug.design.shtml
(1735 words)
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| | (D2OL)™ - Drug Design and Optimization Lab - Home |
| | The Drug Design and Optimization Lab (D2OL) works to discover drug candidates against Anthrax, Smallpox, Ebola and SARS and other potentially devastating infectious diseases. | | | Drug Innovation 2000 Expand use of existing drugs. | | | Using this computing power, our proprietary methodology to identify targets (focusing on epidemiology, drugability and the target's role in the pathogen's lifecycle) and collaborating with experts in computational chemistry and structure based drug design, the (D2OL) initiative is working to improve our society's ability to respond to the ever increasing threats in a timely manner. |
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http://www.d2ol.com
(391 words)
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| | Drug Discovery Program |
| | New link to drug design and molecular modeling group | | | Drug Discovery Meeting 2004 at University of Illinois at Chicago |
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http://drugdesign.georgetown.edu
(42 words)
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| | Collaboratory for Structure-Based Drug Design |
| | This "collaboratory" allows scientists to share and interactively manipulate complex three-dimensional molecular models for applications such as drug design and protein engineering. | | | Testbed project: Structural studies of collagen and the design of collagen-based biomaterials | | | The Resource for Biocomputing, Visualization, and Informatics, a NCRR Resource Center, has created a software system to support collaborative studies of molecular structure among scientists at multiple remote locations. |
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http://www.cgl.ucsf.edu/Research/collaboratory
(154 words)
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| | MolMo Services: Molecular Modeling and Drug Design company |
| | MolMo Services is a molecular modeling and drug design company that provides a wide range of computational research services for the chemical and pharmaceutical industry. | | | For an overview of the software we have developed in the past, we suggest you take a look at the software page and at the services we offer in the field of molecular modeling and drug design. | | | But we offer more: extensive expertise in drug design, library screening, synthesis planning, biological modeling, high-quality scientific visualization and virtual reality rendering are all part of our product. |
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http://www.molmo.be
(143 words)
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| | SimBioSys Inc. |
| | The Simbiosys Inc. team has many years of development experience with various computational chemistry applications. | | | We have expertise in molecular docking (flexible ligand docking and fast pre-docking), pharmacophore modelling, 3D database search, de novo design, expert 3D visualizations techniques, designing large software systems and designing rapid application development. |
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http://www.simbiosys.ca
(78 words)
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