Pharmacophore perception, development, and use in drug design

Cover of: Pharmacophore perception, development, and use in drug design |

Published by International University Line in LaJolla, CA .

Written in English

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Subjects:

  • Drugs -- Structure-activity relationships.,
  • Drugs -- Design.

Edition Notes

Includes bibliographical references and index.

Book details

Statementedited by Osman F. Güner.
SeriesIUL biotechnology series
ContributionsGüner, Osman F, 1956-
Classifications
LC ClassificationsRM301.42
The Physical Object
Paginationxiii, 537 p., xx p. of col. plates :
Number of Pages537
ID Numbers
Open LibraryOL22138638M
ISBN 100963681761

Download Pharmacophore perception, development, and use in drug design

In the early s, Paul Ehrlich first defined pharmacophores as molecule frameworks that carry the essential features responsible for a drug's biological activity, and the modern definition is little changed.

The 27 studies here begin by tracing the evolution of the concept in pharmaceutical research, then cover analog-based and receptor-based varieties, new algorithms, and the future of. Pharmacophore Perception, Development, and Use in Drug Design (Iul Biotechnology Series, 2) Hardcover – February 1, by Osman F.

Guner (Editor) out of 5 stars 1 rating. See all formats and editions Hide other formats and editions. Price New from 4/5(1). The book entitiled Pharmacophore P erception, Development, and Use in Drug Design, which has been just released [1], is the first monograph ded icated to the to pic of the pharmacophor e.

It isAuthor: Shu-Kun Lin. The book entitiled Pharmacophore Perception, Development, and Use in Drug Design, which has been just released [1], is the first monograph dedicated development the topic of the pharmacophore. It is authored by 56 experts [2] in the fields of computational chemistry and chemo- and bioinformatics.

PHARMACOPHORE PERCEPTION, DEVELOPMENT, AND USE IN DRUG DESIGN edited by OSMAN F. GÜNER Preface: Perceiving a pharmacophore is the most important first step towards understanding the interaction between a receptor and a ligand.

In the early s, Paul Ehrlich offered the. The book entitiled Pharmacophore Perception, Development, and Use in Drug Design, which has been just released [], is the first monograph dedicated to the topic of the is authored by 56 experts [] in the fields of computational chemistry and chemo- and first chapter stes the tone for the volume by giving a very interesting account of the evolution of the Cited by: Yet, quite surprisingly, this book is the first book that has the word “pharmacophore” in its title.

We therefore wanted to be very comprehensive in this first volume, covering all aspects of pharmacophore perception, development, and use in drug design. see larger photo. Look inside this book. Abstract: Q uoting Robert S. Pearlman, Coulter Sublett Regents Chair in Pharmacy in the University of Texas at Austin 'Pharmacophore perception and the use of perceived pharmacophores comprise the fundamental essence of all CADD methods.' Quoting the Editor's first sentence in the Preface of the book 'Perceiving a pharmacophore is the most important.

: pharmacophore. Skip to main content. Try Prime All Go Development EN Hello, Sign in Account & Lists Sign in Account & Lists Orders Try Prime Cart. Today's Deals Your Gift Cards Help. Get this from a library. Pharmacophore perception, development, and use in drug design.

[Osman F Güner;]. Development and Use in Drug Design Pharmacophore Perception reviews BOOKS Billmeyer and Saltzman's Principles of Colour Technology 21 July Organic Synthesis on Solid Phase 14 July Experimental Organic Chemistry 7 July Rare Earth 30 June Tower of Babel 16 June archive Osman F.

Güner $ The book entitiled Pharmacophore Perception, Development, and Use in Drug Design, which has been just released [1], is the first monograph dedicated to the topic of the pharmacophore.[ ] View Full-TextCited by: The book entitiled Pharmacophore Perception, Development, and Use in Drug Design, which has been just released [1], is the first monograph dedicated to the topic of the pharmacophore.

It is authored by 56 experts [2] in the fields of computational chemistry and chemoand bioinformatics. The first chapter stes the tone for the volume by giving a very interesting account of the evolution of the. Pharmacophore approaches have become one of the major tools in drug discovery after the past century's development.

Various ligand-based and structure-based methods have been developed for improved pharmacophore modeling and have been successfully and extensively applied in virtual screening, de novo design and lead optimization. Despite these successes, pharmacophore Cited by: This chapter discusses quantitative structure–activity relationships (QSAR) and pharmacophore mapping strategies in novel anticancer drug discovery.

The overall objective of any QSAR study is to identify parameters that give a statistically significant correlation with the observed biological activity of a Author: James J. Kaminski.

Pharmacophore Perception, Development, and Use in Drug Design. La Jolla: Internat’l University Line. McGregor MJ, Muskal SM. Pharmacophore fingerprinting. Application to QSAR and focused library design. J Chem Inf Comput Sci. ;39(3)– McGregor MJ, Muskal SM.

Pharmacophore fingerprinting. Application to primary. Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target.

The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. [PDF] Pharmacophore Perception, Development, and Use in Drug Design (Iul Biotechnology Series, 2).

Gund P () Evolution of the pharmacophore concept in pharmaceutical research. In: Güner OF (ed) Pharmacophore perception, development, and use in drug design.

International University Line, La Jolla, CA, p 5 Google ScholarCited by: 1. Gu¨ner, O.F. Pharmacophore Perception Development and Use in Drug Design, International University Line Langer, T.

and Hoffmann, R.D. Pharmacophores and Pharmacophore Searches,Wiley VCH. Kirchmair, J. et al. () Comparative analysis of protein-bound ligand conformations with respect to catalyst’s conformational space sub.

With computer-aided drug design established as an integral part of the lead discovery and optimization process, pharmacophores have become a focal point for conceptualizing and understanding.

Download Pharmacophore Perception Development and Use in Drug Design (Iul Biotechnology Series. The book entitiled Pharmacophore Perception, Development, and Use in Drug Design, which has been just released [1], is the first Expand.

First book on pharmacophores: The contributor/editor of the first book about pharmacophore modeling, entitled “Pharmacophore Perception, Development, and Use in Drug Design” published in Quoting Lisa Balbes in her book review for The Alchemist. Catalyst's approach to pharmacophore discovery has numerous weaknesses, which I've addressed in my latest work on pharmacophore discovery, DANTE, which is described in the following papers.

e, "An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility", J. Comp.-Aided Mol. Design. Throughout the book, industrial and academic drug discovery strategies are addressed, with contributors coming from both areas, enabling an informed decision on when and which data mining tools to use for one's own drug discovery project.

Güner, O. and Henry, D. "Metrics for Analyzing Hit Lists and Pharmacophores” in Pharmacophore Perception, Development, and Use for Drug Design, Güner, O. Pharmacophore perception, development, and use in drug design. LaJolla, CA: International University Line.

ISBN Langer T, Hoffmann RD (). Pharmacophores and pharmacophore searches. Weinheim: WILEY-VCH. ISBN   Introduction. Fully automated methods of pharmacophore model design can help facilitate the process of modern computer based drug discovery (Chen et al., ; Wallach & Lilien, ).Computers gain credibility in the field of computational biology and drug design, as new and more efficient algorithms and pipelines are established (Donsky & Wolfson, ; Loukatou et al., ; Cited by: 6.

In the absence of three-dimensional (3D) structures of potential drug targets, ligand-based drug design is one of the popular approaches for drug discovery and lead optimization. 3D structure-activity relationships (3D QSAR) and pharmacophore modeling are the most important and widely used tools in ligand-based drug design that can provide crucial insights into the nature of the interactions Cited by:   Pharmacophore in Drug Design and Discovery • A pharmacophore model is a geometrical description of the chemical functionalities required of a ligand to interact with the receptor.

modern medicinal chemistry is to reduce the overall cost - discovery and development of a new drug, by identifying the most promising candidates to focus on the.

Masukawa KM, Carlson HA, McCammon JA () Technique for developing a pharmacophore model that accommodates inherent protein flexibility: an application to HIV-1 integrase. In: Guner OF (ed) Pharmacophore perception, development, and use in drug design. International University Line Google ScholarCited by: 1.

Drug discovery is an intricate process in which new drugs are designed or discovered. A pharmacophore is an essential ensemble of steric and electronic features for drug discovery, which is necessary to ensure optimal interactions with a specific target structure and to trigger its biological response.

Introduction: Sleeping sickness has long been considered as a neglected disease, and very few pharmaceutical companies and research organizations are involved in the design and development of anti-trypanosomal drugs. This may be especially due to poor financial returns. Materials and Methods: In view of the dire need for new drugs for sleeping sickness, we have implemented in-silico ligand Cited by: 2.

For over a century since the early s, Paul Ehrlich was credited with originating the concept of pharmacophores. This was challenged by John Van Drie in due to the fact that Ehrlich did not use the word “pharmacophore” in his writings.

Van Drie claimed that the attribution of the pharmacophore concept to Ehrlich was due to an erroneous citation made by Ariëns in a paper, and Cited by: A computational procedure is detailed where techniques common in the drug discovery process - 2D- and 3D-Quantitative Structure-Activity Relationships (QSAR) - are applied to rationalize the catalytic activity of a synthetically flexible, Ti-N=P ethylene polymerization catalyst system.

Abstract: Background: In view of many current mosquito-borne diseases there is a need for the design of novel repellents. Objective: The objective of this article is to review the results of the researches carried out by the authors in the computer-assisted design of novel mosquito repellents.

pharmacophore perception development and use in drug design Download pharmacophore perception development and use in drug design or read online here in PDF or EPUB. Please click button to get pharmacophore perception development and use in drug design book now.

All books are in clear copy here, and all files are secure so don't worry about it. Jones G, Willet P, Glen R () GASP: genetic algorithm superimposition program. In: Güner OF (ed) Pharmacophore perception, development, and use in drug design, vol 2. International University Line, La Jolla, CA, pp 85– Google ScholarCited by: 2.

Seeking Novel Leads Through Structure-Based Pharmacophore Design. Luke S. Fisher and Osman F. Güner * Accelrys Inc., Scranton Road, San Diego, CAU.S.A ACS Professional Reference Book: USA, Links Pharmacophore Perception, Development, and Use in Drug Design, International University Line: La Jolla, Links.

Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient.

In the most basic sense.In the pharmacophore perception area there is still a lot of room for research aimed at the improvement of methods or even the design of novel algorithms. In view of the growing quantity of chemogenomics data available, automated methods for pattern recognition-based pharmacophore generation are needed and currently being by: 8.View Bert Thomas’ profile on LinkedIn, the world's largest professional community.

Pharmacophore Perception, Development, and Use in Drug Design. A pharmacophore-based docking method.

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