Bioactive Compound Design:
Possibilities for Industrial Use
SCI Books from
Bios Scientific Publishing
ISBN: 1-85996-165-7
Edited by
M.G. Ford, R. Greenwood, G.T. Brooks and R. Franke*
University of Portsmouth, UK; and *Basdorf, Germany
1996
Paperback, 186 pages
approx £35.00
The search for novel, biologically
active materials is a major goal of many of the biotechnology
based industrial companies. These include pharmaceutical, agrochemical
and food companies seeking new drugs, pesticides, flavours and
aromas. In the past, the process of identifying new compounds
has been based on low throughput biological screening of compounds
developed and synthesised by organic chemists using traditional
procedures. Although many valuable products have resulted from
this approach, recent developments in information technology,
mathematical algorithms and robotics appear to offer alternative
approaches which may eventually prove to be more cost-effective.
Bioactive Compound Design describes the impact that these
new design procedures are having on the discovery process.
The text begins with a review of computer-aided drug design
which offers tantalising insights into the potential of the
methods, but also provides examples to warn the would-be practitioner
of the many pitfalls which await an unsuspecting enthusiast.
The book is then divided into five sections dealing respectively
with:
- Biological testing: approaches to screening
- Lead generation
- Chemometric methods in drug design and series optimization
- Application of QSAR and pharmacokinetic models
- Prediction and analysis of biological and environmental
effects of compounds
Topics include the impact of high-throughput screens on the
process of synthesising candidate drugs and agrochemicals
for industry, the role of molecular similarity and database
searching in identifying new starting structures, and the
use of IT techniques such as artificial neural networks, computer
modelling and expert system. These developments are illustrated
by selected examples taken principally from the fields of
drug and agrochemistry. The chapters by experts from both
academia and industry are authoritative, contemporary and
relevant to the needs of the industrial scientist.
Readership: Postgraduates and researchers; particularly
in the pharmaceutical industry.
Contents
- Computer-aided drug design: facts and fictions - H Kubinyi
Biological testing: approaches to screening
- The use of in vitro and in vivo bioassays
to screen for novel agrochemicals: approaches to experimental
design - MR Bartley and D Youle
- Screening and rational drug design - competitive or complemetary?
- RM Hyde and A Hersey
- PASS: Computerized prediction of biological activity spectra
for chemical substances - DA Filimonov and VV Poroikov
Lead generation
- The role of molecular similarity in lead generation -
PM Dean et al
- Flexible three-dimensional database searching for the
identification of novel lead compounds - PW Finn and M Snarey
- The histamine H2 receptor as a tool for medicinal chemists
- PHJ Nederkoorn et al
Chemometric methods in drug design and series optimization
- Chemometric methods in drug design: tale or tool? - R
Franke
- Artificial neural networks as an alternative to statistics
- DJ Livingstone and MG Ford
- Computer assisted drug design and biotechnology: a case
study on lead optimization related to breast cancer therapy
- S Nilsson and U Norinder
- The role of binding studies in the design of bioactive
molecules - K Shrimanker
- Non-peptide angiotensin II receptor antagonists: PCA and
PLS analyses employing different types of 3D molecular descriptors
- M Mabilia and E Fioravanzo
The application of QSAR and pharmacokinetic models
- Drug-membrane interaction and accumulation, conformation,
efficacy and resistance - JK Seydel et al
- Physiologic based pharmacokinetic modelling and QSAR -
DE Leahy et al
Prediction and analysis of biological and environmental
effects of compounds
- Artificial intelligence: the use of computer methods in
the prediction of metabolism and toxicity - CA Marchant
and RD Combes
- Environmental early-warning methods for synthesis teams
- PH Nicholls
- On the necessity of multivariate statistical tools for
modeling biodegradation - J Devillers
Please send orders to:
BIOS Scientific Publishers Ltd
9 Newtec Place
Magdalen Road
Oxford
OX4 1RE
T: +44 (0) 1865 726286
Editorial & Production F: +44 (0) 1865 200386
Sales & Marketing: +44 (0) 1865 246823
W: www.BIOS.co.uk
For
more information on SCI Pubiications, please contact:
Gaynor Redvers-Mutton, Publications Liaison Manager, T: +44 (0)20 7598 1554 , F: +44 (0)20 7598 1545, E: gaynor.redvers[ at]soci.org
|
