Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
Published on 23. January 2019
Book
Hardback
XII, 406 pages
978-3-030-05281-2 (ISBN)
Description
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 forresearchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.
The book offers an invaluable resource for graduate and postgraduate students, as well as forresearchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.
More details
Series
Edition
2019 ed.
Language
English
Place of publication
Cham
Switzerland
Publishing group
Springer International Publishing
Target group
Professional and scholarly
Illustrations
79 farbige Abbildungen, 27 s/w Abbildungen
XII, 406 p. 106 illus., 79 illus. in color.
Dimensions
Height: 241 mm
Width: 160 mm
Thickness: 29 mm
Weight
793 gr
ISBN-13
978-3-030-05281-2 (9783030052812)
DOI
10.1007/978-3-030-05282-9
Schweitzer Classification
Other editions
Additional editions
E-Book
01/2019
1st Edition
Springer
€192.59
Available for download
Person
Dr. C. Gopi Mohan is an Associate Professor at the Center for Nanosciences and Molecular Medicine, specializing in the areas of structural bioinformatics, structure-based drug design, protein crystallography, and nanoinformatics. He graduated from Banaras Hindu University with a PhD in Physics and gained experience as a postdoctoral researcher at the Indian Institute of Science, Bangalore (India), as a research officer at the University of Bath (UK) and as an associate researcher at the University Henri Poincare, Nancy (France). Further, he worked as a member of the faculty at the National Institute of Pharmaceutical Education & Research (NIPER), Mohali, Punjab. Dr. Gopi Mohan has published more than 70 research papers in refereed journals and was cited as an internationally recognized expert in the field of Structural Bioinformatics and Chemoinformatics by Synergix Ltd. (UK) founded by Dr. N.C. Cohen, a pioneer of rational drug design. Recently he was awarded the ICMR Senior Biomedical Scientist International Fellowship to visit US laboratories for research collaborations.
Content
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.