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Rational Drug Design

Overview of attention for book
Cover of 'Rational Drug Design'

Table of Contents

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    Book Overview
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    Chapter 1 Molecular Dynamics Simulations on the Bioactive Molecule of hIAPP22–29 (NFGAILSS) and Rational Drug Design
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    Chapter 2 Development of Peptide-Based Inhibitors of Amylin Aggregation Employing Aromatic and Electrostatic Repulsion
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    Chapter 3 In Silico Drug Design: Non-peptide Mimetics for the Immunotherapy of Multiple Sclerosis
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    Chapter 4 Binding Moiety Mapping by Saturation Transfer Difference NMR
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    Chapter 5 Protein-Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection
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    Chapter 6 Rational Drug Design Using Integrative Structural Biology
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    Chapter 7 Enalos+ KNIME Nodes: New Cheminformatics Tools for Drug Discovery
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    Chapter 8 Bioguided Design of Trypanosomicidal Compounds: A Successful Strategy in Drug Discovery
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    Chapter 9 A Hybrid Virtual Screening Protocol Based on Binding Mode Similarity
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    Chapter 10 Single Step Determination of Unlabeled Compound Kinetics Using a Competition Association Binding Method Employing Time-Resolved FRET
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    Chapter 11 Dynamic Undocking: A Novel Method for Structure-Based Drug Discovery
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    Chapter 12 The Impact of Lipophilicity in Drug Discovery: Rapid Measurements by Means of Reversed-Phase HPLC
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    Chapter 13 Exploring Polypharmacology in Drug Design
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    Chapter 14 Development of Nuclear Receptor Modulators
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    Chapter 15 In Silico Screening of Compound Libraries Using a Consensus of Orthogonal Methodologies
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    Chapter 16 Insights in Organometallic Synthesis of Various Adamantane Derivatives with Sigma Receptor-Binding Affinity and Antiproliferative/Anticancer Activity
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    Chapter 17 Supervised Molecular Dynamics (SuMD) Approaches in Drug Design
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    Chapter 18 Lead Identification Through the Synergistic Action of Biomolecular NMR and In Silico Methodologies
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    Chapter 19 The Use of Dynamic Pharmacophore in Computer-Aided Hit Discovery: A Case Study
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    Chapter 20 Rational Development of MAGL Inhibitors
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    Chapter 21 Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1
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    Chapter 22 Designing Natural Product Hybrids Bearing Triple Antiplatelet Profile and Evaluating Their Human Plasma Stability
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    Chapter 23 Pharmacophore Generation and 3D-QSAR Model Development Using PHASE
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    Chapter 24 Design of Drugs by Filtering Through ADMET, Physicochemical and Ligand-Target Flexibility Properties
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    Chapter 25 Reactions in NMR Tubes as Key Weapon in Rational Drug Design
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    Chapter 26 Application of Multiscale Simulation Tools on GPCRs. An Example with Angiotensin II Type 1 Receptor
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    Chapter 27 Angiotensin II Type 1 Receptor Homology Models: A Comparison Between In Silico and the Crystal Structures
Attention for Chapter 8: Bioguided Design of Trypanosomicidal Compounds: A Successful Strategy in Drug Discovery
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Chapter title
Bioguided Design of Trypanosomicidal Compounds: A Successful Strategy in Drug Discovery
Chapter number 8
Book title
Rational Drug Design
Published in
Methods in molecular biology, January 2018
DOI 10.1007/978-1-4939-8630-9_8
Pubmed ID
Book ISBNs
978-1-4939-8629-3, 978-1-4939-8630-9
Authors

Guzmán Ignacio Álvarez Touron, Álvarez Touron, Guzmán Ignacio

Abstract

Drug development is a long and expensive process that takes about 15 years and is mostly carried out by the pharmaceutical industry. In the case of the diseases produced by trypanosomatids, this development is poorly performed by the pharmaceutical industry. As a result the academia is the one that take a leading role with the drug development process. More effective and economic methodologies to obtain safe compounds and with strong trypanosomicidal activity are urgently needed. In this work, a series of methods are described to obtain bioactive molecules with antiparasitic activity and good pharmacological profiles.

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Mendeley readers

Mendeley readers

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Geographical breakdown

Country Count As %
Unknown 4 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 1 25%
Other 1 25%
Student > Master 1 25%
Unknown 1 25%
Readers by discipline Count As %
Biochemistry, Genetics and Molecular Biology 1 25%
Physics and Astronomy 1 25%
Chemistry 1 25%
Medicine and Dentistry 1 25%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 01 March 2023.
All research outputs
#20,846,788
of 23,462,326 outputs
Outputs from Methods in molecular biology
#10,122
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Outputs of similar age
#380,392
of 444,628 outputs
Outputs of similar age from Methods in molecular biology
#1,173
of 1,485 outputs
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So far Altmetric has tracked 13,337 research outputs from this source. They receive a mean Attention Score of 3.4. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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