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Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

(Gebundene Ausgabe, Englisch)

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Beschreibung
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.
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Technische Daten


Erscheinungsdatum
23.01.2019
Sprache
Englisch
EAN
9783030052812
Herausgeber
Springer International Publishing
Serien- oder Bandtitel
Challenges and Advances in Computational Chemistry and Physics
Sonderedition
Nein
Seitenanzahl
406
Auflage
1st edition 2019
Einbandart
Gebundene Ausgabe
Autorenporträt
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.
Schlagwörter
Structural Bioinformatics, Drug Discovery Process, Drug Discovery and Development, Computer Aided Drug Design, Predictive Chemoinformatics, Virtual Screening of Drugs, In Silico Molecular Modeling, Molecular Docking, Structure Based Drug Design, Structure-activity Relationships, Structure-function Relationships, Pharmacoinformatics and Drug Discovery, Predictive Models Drug Discovery, Protein-ligand Interactions, Computer-aided Molecular Design, Biomolecular Interactions Drug Design, Hydrogen Bonding and Protein Active Site, Rational Drug Design, Pharmaceutical Design, Ligand Based Drug Design
Thema-Inhalt
PNRA - Chemoinformatik PNB - Medizinische Chemie, Pharmazeutische Chemie PSB - Biochemie PSAX - DV-gestützte Biologie/Bioinformatik
Höhe
235 mm
Breite
15.5 cm

Hersteller: Springer, Europaplatz 3, Heidelberg, Deutschland, 69115, ProductSafety@springernature.com, Springer Nature Customer Service Center GmbH

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