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Multi-Scale Approaches in Drug Discovery - From Empirical Knowledge to In silico Experiments and Back (Paperback)
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Multi-Scale Approaches in Drug Discovery - From Empirical Knowledge to In silico Experiments and Back (Paperback)
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Drug discovery is an expensive, time-consuming process and the
modern drug discovery community is constantly challenged not only
with discovering novel bioactive agents to combat resistance from
known diseases and fight against new ones, but to do so in a way
that is economically effective. Advances in both experimental and
theoretical/computational methods envisage that the greatest
challenges in drug discovery can be most successfully addressed by
using a multi-scale approach, drawing on the specialties of a whole
host of different disciplines. Multi-Scale Approaches to Drug
Discovery furnishes chemists with the detail they need to identify
drug leads with the highest potential before isolating and
synthesizing them to produce effective drugs with greater swiftness
than classical methods may allow. This significantly speeds up the
search for more efficient therapeutic agents. After an introduction
to multi-scale approaches outlining the need for and benefits of
their use, the book goes on to explore a range of useful techniques
and research areas, and their potential applications to this
process. Profiling drug binding by thermodynamics, machine learning
for predicting enzyme sub-classes, and multitasking models for
computer-aided design and virtual compound screening are discussed,
before the book goes on to review Alkaloid Menispermaceae leads,
natural chemotherapeutic agents and methods for speeding up the
design and virtual screening of therapeutic peptides. Flavonoids as
multi-target compounds are then explored, before the book concludes
with a review of Quasi-SMILES as a novel tool. Collecting together
reviews and original research contributions written by leading
experts in the field, Multi-Scale Approaches to Drug Discovery
highlights cutting-edge approaches and practical examples of their
implementation for those involved in the drug discovery process at
many different levels. Using the combined knowledge of medicinal,
computational, pharmaceutical and bio- chemists, it aims to support
growth in the multi-scale approach to promote greater success in
the development of new drugs.
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