Privileged Structures
Pharmaceutical Symposia
Lectures
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World Pharmaceutical Congress - Trends in Pharmaceutical Development
Fourth Annual Hit to Lead to Optimization
June 11-13, 2007, Pennsylvania, Convention Center, Philadelphia, PA
Knowledge-Based Lead Generation and Optimization
Zhengming Chen, Ph.D., Director of Chemistry, DOV Pharmaceutical, Inc.
"Among the strategies that can lead to the discovery of new drugs, knowledge-based lead generation and optimization has been utilized frequently, in an attempt to find new drugs in a shorter time with respect to other strategies. Knowledge-based lead generation strategy includes the design of mimics of the endogenous ligands/mediators, the identification and use of privileged structures, and analog research from known ligands and drugs. This presentation will cover the practice of knowledge based lead generation and optimization strategy, i.e., the structure-target relationships, the privileged structures for certain target family and application of analog research in DOV’s drug discovery program."
 
ACSPROSPECTIVE Conference
Discovery and Selection of Successful Drug Candidates
Dr. John P. Mayer, Eli Lilly
MAY 15 – 18, 2005
HILTON BOSTON BACK BAY
BOSTON, MA
 
2ème Journée Jeunes Chercheurs de la Société de Chimie Thérapeutique
Paris, France, 28 janvier 2005
Dorbec, M.; Florent, J.-C.; Monneret, C.; Bertounesque, E.
Diversité moléculaire à partir du squelette 1-aryltétraline,
(Molecular diversity from privileged structure 1-aryltetraline )
www.curie.fr/recherche/themes/equipe_congres.cfm/id_equipe/64/lang/_fr.htm
 
ACS Division of Chemical Information
228th ACS National Meeting
Philadelphia, PA, August 22-26, 2004
Advances in Virtual High-Throughput Screening
Property-Based Screening
D. Schnur, M. A. Hermsmeier.
"Classpharmer and the quest for privileged substructures"
 
XVIII th International Symposium on Medicinal Chemistry
Copenhagen, Denmark Malmö, Sweden, August, 15-19, 2004.
Ravelo, Á. G.; Estévez-Braun, A.; Pérez-Sacau, E.; Jiménez, S. Synthesis of bioactive quinone derivatives as antitumoral and cancer chemopreventive agents.
"The quinone structure is common to numerous natural products, it is associated with anticancer, antibacterial, antimalarial and fungicide activities and it is considered as a privileged structure."
 
XVIII th International Symposium on Medicinal Chemistry
Copenhagen, Denmark Malmö, Sweden, August, 15-19, 2004.
Ligand-based de novo design of GPCR libraries
Per Källblad, David G. Lloyd, David T. Manallack and Henriëtte M.G. Willems
"We have designed novel focussed libraries targeting six amine subfamilies (a and ß adrenergic, dopamine, histamine, muscarinic and 5-HT) by performing de novo structure assembly of privileged substructures in ligand-based pharmacophores."
www.ismc2004.dk/index.php/Poster_28__Ligand-based_de_nov/131/0/
 
The World Pharmaceutical Congress
Hit-To-Lead
Streamlining Lead Generation and Optimization
May 17-19, 2004, Wyndham Franklin Plaza Hotel, Philadelphia, Pennsylvania
"Emerging Technologies"
"Silicon Medicinal Chemistry - A Reduced Risk and Expedited Approach to Lead Generation
Graham Showell, Ph.D.
Silicon-containing privileged-structure scaffolds, which interact with high-profile gene families of tractable targets of pharmaceutical interest, can be readily fictionalized to provide potency and selectivity for a specific gene family member of interest. Using this approach in validated areas of biology, in conjunction with knowledge of silicon medicinal chemistry, provides rapid entry into lead-like compounds with a strong intellectual property position. At Amedis we have utilized this approach in the GPCR, protease, kinase and nuclear hormone receptor fields to rapidly identify leads in different drug discovery programs."
www.chi-intelligentdrug.com/2004-htl.asp
 
G-Protein Coupling Receptor
Drug Discovery World Summit
April 22-23, 2004
Marroit Del Mar, San Diego
Assessing Target Specific Content in GPCR-BasedLibraries: Hierarchical Design and Assembly of Privileged Building Blocks for GPCR Platform
Tkachenko, S.
Chemical Diversity Lab
"The modern practical application of the concept of privileged substructures for the identification of combinatorial building blocks for the synthesis of chemical libraries enriched with GPCRs-specific structural motifs will be discussed. One ofthe main points is the methodology of transformation of GPCRs privileged substructures into building block, which are accessible for combinatorial assembling."
www.srinstitute.com/CustomerFiles/upload/brochure/cs292_brochure.pdf
 
Cambridge Healthtech Institute's
Advancing Library Design and Organic Synthesis
February 24-27, 2003
Hilton La Jolla Pines. La Jolla, Carlifornia
Identification and Use of Privileged Substructures for Computationally Driven High-Throughput Lead Discovery
Merlot, C.
Serono Pharmaceutical Research Institute
"A novel computational method for rapid identification of privileged substructures associated with a compound's biological activity has been developed, implemented, and validated on various targets. The method is termed discrete sub-structural analysis (DSA). Use of privileged substructures combined with other tools such as virtual compound libraries is a basis for the rational design of highly diverse albeit focussed compound sets for high throughput screening. The method outperformed random-based screening strategies in almost every instance, sometimes by ratios of 90 to 1. Real-life case studies illustrating the use of the methodology in the identification of novel 7-TM receptor ligands, phosphatase inhibitors, ion channel blockers, and kinase inhibitors are presented. The underlying principles and development of automated, DSA-based virtual screening and analysis tools will also be presented through case studies." www.healthtech.com/2003/lds/
 
 
Selected Topics in Structure-Based Medicinal Chemistry
Ecole Polytechnique-CNRS, 1er février 2005
"On privileged structures in molecular design to drug discovery"
Müller K.
F. Hoffman-La Roche Ltd
Pharmaceutical Research
Basel, Switzerland

 
The University of New Mexico, Department of Chemistry
Wei Wang
Assistant Professor of Chemistry
wwang@unm.edu
"We are developing an innovative and general strategy by the selection of "privileged" structures as lead compounds in conjunction with diversity oriented library synthesis to build molecules. Such an approach can allow to rapidly identify potent ligands to receptors and inhibitors to enzymes. Current efforts focus on the design, synthesis and evaluation of conformationally restricted aminobutyric acid (GABA) analogues and privileged structure benzopyrano[3,4-c]pyrrole-based library targeting the central nervous system with potential for the treatment of the Parkinson's disease and Alzheimer's disease."
http://chemistry.unm.edu/faculty/wwang.cfm
 
The University of Ottawa, Department of Chemistry
The Fagnou research group in synthetic organic chemistry
" To help guide the efforts of medicinal chemists, certain motifs have been identified as “privileged structures” which are deemed to hold particular promise in the search for new medications. Within this group is the biaryl core that can be found in 4.3% of all known drugs. "
www.science.uottawa.ca/~kfagn061/biphenyls_and_biaryls.htm
 
University of Kansas Center of Excellence in Chemical Methodologies & Library Development www.cmld.ku.edu/projects.html
Project 4: Natural Products & Privileged Structures
Buszek; K.; Gunda, G.
"“Privileged structures” are molecular subunits that are associated with a high degree of biological activity across more than one pharmacological target. One such set of structures being investigated by Professor Gunda I. Georg’s group, of the University of Kansas Medicinal Chemistry Department, are the quinolones. Quinolones of various kinds have been associated with antimicrobial or anticancer activity."
www.cmld.ku.edu/project4.html
 
The University of Toledo, Chemistry Department, Ohio
Yun-Ming Lin
Assistant Professor of Chemistry
Yun-Ming.Lin@utoledo.edu
"Our research program integrates diversity-oriented target synthesis based on privileged structures of biologically active small molecules (both natural products and analogs),..."
www.chem.utoledo.edu/FAC_INFO/Lin/SOURCE.htm