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*  Events - Structure-Based Drug Design
... - Westin Boston Waterfront - Boston - Massachusetts - United States - United States - Experimental methods such as X-ray crystallography, NMR, and computational chemistry techniques have led to a better understanding and larger knowledge base of 3-dimensional structures and binding events, encouraging rapid development of structure-based drug design. Cambridge Healthtech Institute\'s Fourteenth Annual Structure-Based Drug Design event will showcase informative, high-quality case studies, innovative techniques, and strategies to move from computation to experiment, and finally, to drug. Top scientists from pharma and biotech will address how they are hitting epigenetic targets, provide updates on the newest wave of GPCRs and other membrane proteins, and discuss the latest in fragment-based drug design. Attendees will return to their ...
  http://www.eventsinamerica.com/events/structure-based-drug-design/ev532c76a936f9d/
*  Structure-Based Drug Design
This project is aimed at combining a number of computationally-based approaches into a system to help design new ligands and drugs. The figure below depicts this integrated approach to structure-based drug design. Key among these tools is the DOCK software package developed by the Kuntz group at USCF to propose novel lead compounds. This system has been used successfully in a wide variety of systems (see references below). The DOCK suite of programs focuses on molecular recognition, with wide-ranging applications to enzyme systems, protein-protein interfaces, nucleic acids, and protein-nucleic acid complexes. The current version of the program (DOCK 4.01) uses full AMBER intermolecular potential functions and flexible ligand minimization to evaluate proposed binding geometries. New methods being incorporated into DOCK include free energy-based scoring functions and receptor flexibility. Finally, considerable emphasis has ...
  http://www.cgl.ucsf.edu/Research/projects/sbdd/
*  Drug Design : Pharmaceuticals : All
Following the ongoing success of our previous Drug Design events, SMi is pleased to announce its 3rd Annual Conference on the 23rd & 24th February 2004.. 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.. Recent advances in drug design, including computational chemistry, combinatorial chemistry and molecular modelling, may have the potential to overcome the shortcomings of conventional approaches and revolutionise drug design methodologies. Indeed, there has already been considerable improvement in increasing drug potency and specificity, with huge commercial impact world-wide.. At this key stage in the revolution of the drug design industry, SMi have ...
  http://www.smi-online.co.uk/pharmaceuticals/archive/2-2004/conference/drug-design?o=login&dl=br&p1=1361
*  PRN: Heptares Review Article Highlights Promise of Structure-Based Drug Design for G Protein Coupled Receptors (GPCRs)
Heptares Review Article Highlights Promise of Structure-Based Drug Design for G Protein Coupled Receptors (GPCRs) [25-April-2012] ...
  http://www.comunicati.net/comunicati/turismo/varie/217190.html
*  Nuclear magnetic resonance aids in drug design
Understanding that lets us predict how flexibility can affect drug-like properties, and how that flexibility should be manipulated in drug design is still elusive," Peng said.. "We need experimental methods that can tell us, systematically, how architectural changes in the candidate drug molecule can change its flexibility relevant for drug-like properties. These methods would benefit not just one particular kind of disease but basically drug design in general," including therapies for cancer, AIDS and MRSA.. "The paper is a beginning of how to systematically understand how we should make ligand molecules, candidate drug molecules, floppy or not floppy, in order to best interfere with the target protein. For example, we can test the idea that some residual 'floppiness' in a drug may help it co-adapt with a protein ...
  http://www.innovations-report.com/hrml/reports/studies/nuclear-magnetic-resonance-aids-drug-design-155022.html
*  Frontiers in Anti-Cancer Drug Discovery :: volume 5 | BenthamScience
Frontiers in Anti-Cancer Drug Discovery" is an Ebook series devoted to publishing the latest and the most important advances in Anti-Cancer drug design and discovery. Eminent scientists write contributions on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, recent important patents, and structure-activity relationships. The Ebook series should prove to be of interest to all pharmaceutical scientists involved in research in Anti-Cancer drug design and discovery. Each volume is devoted to the major advances in Anti-Cancer drug design and discovery. The Ebook series is essential reading to all scientists involved in drug ...
  http://www.eurekaselect.com/130966
*  Buy Mooney Twins Health, Wealth, Comedy and Sexual Empowerment / Calvin Kennedy Development Strategies in Technology, Emerging...
Purchase and Download Mooney Twins Health, Wealth, Comedy and Sexual Empowerment / Calvin Kennedy Development Strategies in Technology, Emerging Markets and African Spirituality instantly with PayLoadz.com.
  http://www.payloadz.com/go/?id=3010990
*  Most recent papers in the journal ACS Medicinal Chemistry Letters | Read by QxMD
Structure-based drug design (SBDD) has become a powerful tool utilized by medicinal chemists to rationally guide the drug discovery process. Herein, we describe the use of SPROUT, a de novo-based program, to identify an indazole-based pharmacophore for the inhibition of fibroblast growth factor receptor (FGFR) kinases, which are validated targets for cancer therapy. Hit identification using SPROUT yielded 6-phenylindole as a small fragment predicted to bind to FGFR1. With the aid of docking models, several modifications to the indole were made to optimize the fragment to an indazole-containing pharmacophore, leading to a library of compounds containing 23 derivatives ...
  https://www.readbyqxmd.com/journal/42780
*  Patent US5612895 - Method of rational drug design based on ab initio computer simulation of ... - Google Patents
A method of rational drug design includes simulating polypeptides in a way that predicts the most probable secondary and/or tertiary structures of a polypeptide, e.g., an oligopeptide, without any presumptions as to the conformation of the underlying primary or secondary structure. The method involves computer simulation of the polypeptide, and more particularly simulating a real-size primary structure in an aqueous environment, shrinking the size of the polypeptide isobarically and isothermally, and expanding the simulated polypeptide to its real size in selected time periods. A useful set of tools, termed Balaji plots, energy conformational maps, and probability maps, assist in identifying those portions of the predicted peptide structure that are most flexible or most rigid. The rational design of novel compounds, useful as drugs, e.g., bioactive peptidomimetic compounds, and constrained analogs thereof, is thus made possible using the ...
  http://www.google.com/patents/US5612895?dq=5,867,764
*  MolMod - Molecular Modeling and Drug Design Group
Prof. Amiram Goldblum's laboratory of molecular modeling and drug design develops algorithms and computer techniques and employs them, as well as other computational methods, for solving problems in structural biology of proteins and associated problems in ligand binding and drug design. A central activity in the laboratory is the development of novel optimization methods for solving complex combinatorial problems that are part of most research subjects in structural biology and in drug design. A large scope may be addressed by our novel core technology, called Iterative Stochastic Elimination (ISE) which is used to find optimal solutions to diverse issues such as molecular conformational ensembles, multiple loops in proteins, protein-ligand docking, protein design, focused libraries, cheminformatics and others. ISE was recently devised in our lab, and is now extended by PhD ...
  http://medchem-models.ekmd.huji.ac.il
*  Rational Drug Design using Genetic Algorithm
Final Year project Rational Drug Design Using Genetic Algorithm Case of Malaria Disease Supervision by Assoc.Prof.Im…
  https://www.slideshare.net/abosafi87/rational-drug-design-using-genetic-algorithm
*  Rational Drug Design
Find all books from Yi Zheng - Rational Drug Design. At find-more-books.com you can find used, antique and new books, COMPARE results and immediately PURCHASE your selection at the best price. 9781627030076
  https://www.find-more-books.com/book/isbn/9781627030076.html
*  Networks and drug design
... Description:. Despite improved rational drug design and a remarkable progress in genomic, proteomic and high-throughput screening methods, the number of novel, single-target drugs fell much behind expectations during the past decade. The project is aimed to find novel drug targets, which are less vulnerable to the development of resistance, and to the mobilization of secondary pathways of cellular networks. As a part of this effort, design strategies to find appropriate target-sets of multi-target drugs are to be developed using multiple perturbations of protein-protein interaction networks.. Publications:. ...
  http://www.linkgroup.hu/networksdrug.php
*  Catching Up with the Genomic Era in Oncology: Key Considerations for Incorporating Genomics into Oncology Drug Development -...
This webinar will provide insight into key genomic concepts and technologies that have shaped our contemporary understanding of the biology, treatment, and drug development opportunities in oncology.
  https://xtalks.com/webinars/incorporating-genomics-oncology-drug-development/
*  Department of Drug Design and Target Validation - Fraunhofer IZI
The Department of Drug Design and Target Validation develops new molecular therapies for neurodegenerative and inflammatory diseases. The department's expertise is based on an in depth pharma-like understanding of scientific work and a long-lasting experience in the field of drug development. This profile encompasses the identification of new target proteins by analyzing putative pathologic post-translational modifications, the misfolding of proteins and the formation of pathological aggregates. Based on these new strategies the department develops and tests small molecules as well as biological agents (biologicals). This research is complemented by the design of new assays for the identification and diagnostic application of biomarkers aiming at monitoring the course of the disease and its therapy. The department's expertise also expands to the generation of ...
  https://www.izi.fraunhofer.de/en/departments/halle-location/department-of-drug-design-and-target-validation.html
*  RCSB PDB - 1W8C: CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2...
1W8C: 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
  http://www.rcsb.org/pdb/explore/explore.do?structureId=1W8C
*  Roche - Medicinal Chemistry
Medicinal Chemistry is a highly interdisciplinary key science within pharmaceutical research, uniquely positioned at the interface to many other scientific areas. Working in close collaboration with biology, molecular modeling and screening technologies, medicinal chemists design and synthetize new bioactive compounds, aiming at the optimal balance of biological activity and physico-chemical properties. Several thousand new molecules need to be created, characterized and tested within a drug discovery project: each round of feedback provides information to guide the next design decision, until one or more potential clinical candidates are identified. Medicinal chemistry also provides tool compounds for biological research, systems biology, and assay development.. Tags: Chemistry ...
  https://www.roche.com/research_and_development/what_we_are_working_on/research_technologies/chemistry/medicinal_chemistry.htm
*  Computational-biology] Identification of Druggable Sites for Protein-Protein Interaction Targets
Cambridge Healthtech Institute & Bio-IT World Announce Upcoming Short Course: Identification of Druggable Sites for Protein-Protein Interaction Targets June 8, 2011 (6:00 - 9:00 p.m.) Royal Sonesta Hotel Boston, Cambridge, MA Register at https://chidb.com/register/2011/sbd/reg.asp On June 8, 2011, a dinner short course (6:00 - 9:00 p.m.) will take place at the conclusion of day one of CHI's Eleventh Annual Structure-Based Drug Design conference. Delegates attending CHI's Structure-Based Drug Design conference are invited to attend, as well as others from the local area. About the course: Despite the growing number of examples of small molecule inhibitors that disrupt protein-protein interactions (PPIs), the origin of druggability is poorly understood. This course is designed to demonstrate the use of computational methods to determine the most likely ...
  http://www.bio.net/bionet/mm/comp-bio/2011-March/004103.html
*  Innovations in Drug Target Validation : Pharmaceuticals : All
The cloning of the genome presents huge opportunities for the pharmaceutical industry to discover new targets for the therapeutics of the future. This bodes well for future drug pipelines in the industry but raises the problem of identifying the best targets to develop out of the large number being identified. The issue of assigning some therapeutic value to newly discovered genes is also becoming increasingly important to ensure that patents for genes can be obtained. This conference will explore the latest issues in the field from technological advances to new applications of more traditional methods of target validation. Validation strategies employed by some of the biggest companies in the world will be discussed with a focus on the overall approaches rather than the technology itself. It is a must for those involved in drug research and discovery if you ...
  http://www.smi-online.co.uk/pharmaceuticals/archive/2-2001/conference/innovations-in-drug-target-validation?o=login&dl=br&p1=356
*  Successful Strategies for the Discovery of Antiviral Drugs (RSC Publishing)
The antiviral therapeutic area continues to rapidly generate meaningful new chemical entities; for example, for HIV alone more than 25 drugs have been approved, and in the next few years many individual drugs and single tablet regimens will be approved for the treatment of hepatitis C virus infection. The increasing success in the antiviral area could be due to targeting drugs at 'non-self' genomes and to the patient population that is tolerant of manageable side effects and adaptable to inconvenient dosing.Aimed at medicinal chemists and emerging drug discovery scientists, the book is organized according to the various strategies deployed for the discovery and optimization of initial lead compounds. This book focuses on capturing tactical aspects of problem solving in antiviral drug design, an approach that holds special appeal for those engaged in antiviral ...
  http://pubs.rsc.org/en/content/ebook/978-1-84973-657-2
*  The Curious Wavefunction: Gordon Conference impressions
The end result of this gastronomical and scientific cornucopia is a bunch of extremely well-fed and intellectually stimulated scientists. In this case, the talks themselves mirrored the astonishing diversity of medicinal chemistry (the topics are publicly listed so there's no harm in talking about them). It's interesting that even today, when you meet someone who calls themselves a "medicinal chemist" he or she is most likely to be a synthetic organic chemist. But I am a modeler, and yet I consider myself first and foremost a medicinal chemist. As the scope of the med chem GRC reveals, a conference on medicinal chemistry today includes all kinds of people; synthetic chemists, biochemists and molecular biologists, pharmacologists, chemical engineers, molecular modelers, physical organic chemists and even doctors. The list of topics ranging from pain to high-throughput screening and from drug delivery to antibody-drug conjugates makes it clear that at this point in time, ...
  http://wavefunction.fieldofscience.com/2013/08/gordon-conference-impressions.html
*  Adaptive Designs in Clinical Drug Development : Pharmaceuticals : All
Professional bodies and Institutes CPD schemes are either structured as 'Input' or 'Output' based. 'Input' based schemes list a precise number of CPD hours that individuals must achieve within a given time period. These schemes can also use different 'currencies' such as points, merits, units or credits, where an individual must accumulate the number required. These currencies are usually based on time i.e. 1 CPD point = 1 hour of learning. 'Output' based schemes are learner centred. They require individuals to set learning goals that align to professional competencies, or personal development objectives. These schemes also list different ways to achieve the learning goals e.g. training courses, seminars or e:learning, which enables an individual to complete their CPD through their preferred mode of learning. The majority of Input and Output based schemes actively encourage individuals to seek appropriate CPD activities independently. As a formal provider of CPD certified activities, SMI Group ...
  http://www.smi-online.co.uk/pharmaceuticals/archive/2-2007/conference/adaptive-designs-in-clinical-drug-development/
*  Infectious Disease Clinical Drug Development | Skin Drug Trial
Clinipace can navigate challenges in the development of treatments for infectious diseases, and create opportunities in the evaluation of new agents.
  https://www.clinipace.com/infectious-disease-research-experience/
*  Letters in Drug Design & Discovery, Volume 14 - Number 1
Letters in Drug Design & Discovery is an essential reading to all pharmaceutical scientists involved in research in drug design and discovery....
  https://benthamscience.com/journals/letters-in-drug-design-and-discovery/volume/14/issue/1/