Structural Bioinformatics: Applications in Preclinical Drug Discovery Process (eBook)

C. Gopi Mohan (Herausgeber)

eBook Download: PDF
2019 | 1. Auflage
XII, 406 Seiten
Springer-Verlag
978-3-030-05282-9 (ISBN)

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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.


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.

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.

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.

Erscheint lt. Verlag 10.1.2019
Reihe/Serie Challenges and Advances in Computational Chemistry and Physics
Zusatzinfo XII, 406 p. 106 illus., 79 illus. in color.
Verlagsort Cham
Sprache englisch
Themenwelt Mathematik / Informatik Informatik
Naturwissenschaften Biologie
Naturwissenschaften Chemie
Schlagworte Biomolecular Interactions Drug Design • Computer Aided Drug Design • Computer-aided Molecular Design • Drug Discovery and Development • Drug Discovery Process • Hydrogen Bonding and Protein Active Site • In Silico Molecular Modeling • ligand based drug design • Molecular Docking • Pharmaceutical design • Pharmacoinformatics and Drug Discovery • Predictive Chemoinformatics • Predictive Models Drug Discovery • Protein-Ligand Interactions • Rational drug design • Structural bioinformatics • Structure-Activity Relationships • Structure Based Drug Design • Structure-function relationships • Virtual Screening of Drugs
ISBN-10 3-030-05282-6 / 3030052826
ISBN-13 978-3-030-05282-9 / 9783030052829
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