applications in preclinical drug discovery process /
First Statement of Responsibility
C. Gopi Mohan, editor.
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
Cham, Switzerland :
Name of Publisher, Distributor, etc.
Springer,
Date of Publication, Distribution, etc.
2019.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
1 online resource (xii, 406 pages) :
Other Physical Details
illustrations (some color)
SERIES
Series Title
Challenges and advances in computational chemistry and physics,
Volume Designation
volume 27
ISSN of Series
2542-4491 ;
GENERAL NOTES
Text of Note
Includes index.
CONTENTS NOTE
Text of Note
Free Energy based methods to understand drug resistant mutations.- Structure-based inhibitor design for some multi-targeted drugs and its ADMET profile.- Structure-based drug design in anti-malarial agent identification.- Epigenome -- the guide to genomic expression for different diseases.- Structure-based design towards Anti-Alzheimer agents.- Challenges of Structure-based drug design and discovery.
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SUMMARY OR ABSTRACT
Text of Note
This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery. The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.