Multi-Scale Approaches in Drug Discovery. From Empirical Knowledge to In Silico Experiments and Back – Ebook PDF Instant Delivery – ISBN(s): 9780081012420,008101242X

Product details:

• ISBN-10 ‏ : ‎ 0081011296
• ISBN-13 ‏ : ‎ 978-0081011294
• Author: Alejandro Speck-Planche

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.

Table contents:

Chapter 1 – Profiling Drug Binding by Thermodynamics: Key to Understanding

Chapter 2 – Machine Learning Approach to Predict Enzyme Subclasses

Chapter 3 – Multitasking Model for Computer-Aided Design and Virtual Screening of Compounds With High Anti-HIV Activity and Desirable ADMET Properties

Chapter 4 – Alkaloids From the Family Menispermaceae: A New Source of Compounds Selective for β-Adrenergic Receptors

Chapter 5 – Natural Chemotherapeutic Agents for Cancer

Chapter 6 – Speeding Up the Virtual Design and Screening of Therapeutic Peptides: Simultaneous Prediction of Anticancer Activity and Cytotoxicity

Chapter 7 – Flavonoids From Asteraceae as Multitarget Source of Compounds Against Protozoal Diseases

Chapter 8 – Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints

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