Rational Drug Design

Methods and Protocols

Inbunden, Engelska, 2018

AvThomas Mavromoustakos,Tahsin F. Kellici

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This volume covers several aspects of rational drug design, such as synthesis of novel bioactive drugs;

Produktinformation

Utgivningsdatum2018-07-24
Mått178 x 254 x 36 mm
Vikt1 072 g
FormatInbunden
SpråkEngelska
SerieMethods in Molecular Biology
Antal sidor465
Upplaga18001
FörlagHumana Press Inc.
ISBN9781493986293

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Farmakologi inom Medicin

Conformational Properties of hIAPP22-29 (NFGAILSS) and Rational Drug Design.- Electronic and Electrostatic Approaches to the Development of Peptide-based Inhibitors of Amylin Aggregation.- In Silico Drug Design: Applications of non-peptide mimetics towards the immunotherapy of multiple sclerosis.- Binding Moiety Mapping by Saturation Transfer Difference NMR.- Protein Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection.- Rational Drug Design using Integrative Structural Biology.- Enalos+Knime Nodes: New Cheminformatics Tools for Drug Discovery.- Bioguided Design of Trypanosomicidal Compounds: A Successful Strategy in Drug Discovery.- A Hybrid Virtual Screening Protocol Based on Binding Mode Similarity.- Single Step Determination of Unlabelled Compound Kinetics Using a Competition Association Binding Method Employing Time-resolved FRET.- Dynamic Undocking: A Novel Method for Structure-based Drug Discovery.- The impact of Lipophilicity in Drug Discovery – Rapid Measurements by Means of Reversed Phase HPLC.- Exploring Polypharmacology in Drug Design.- Development of Nuclear Receptor Modulators.- In silico Screening of Compound Libraries using a Consensus of Orthogonal Methodologies.- Insights in Organometallic Synthesis of Various Adamantane Derivatives with Sigma Receptor (σR) Binding Affinity and Antiproliferative / Anticancer Activity.- Supervised Molecular Dynamics (SuMD) Approaches in Drug Design.- Lead Identification through the Synergistic Action of Biomolecular NMR and in Silico Methodologies.- The use of Dynamic Pharmacophore in Computer Aided Hit Discovery: A Case Study.- Rational Design of MAGL inhibitors.- Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the methyllysine Reader Protein Spindlin1.- Designing Natural Product Hybrids Bearing Triple Antiplatelet Profile and Enhanced Human Plasma Stability.- Pharmacophore Generation and 3D-QSAR Model Development using PHASE.-Design of Drugs by Filtering through ADMET, Physicochemical, and Ligand-Target Flexibility Properties.- Reactions in NMR tubes as Key Weapon in Rational Drug Design.- Application of Multiscale Simulations Tools on GPCRs. An Example with Angiotensin-II type 1 receptor.- Angiotensin II Type 1 Receptor Homology Models: A Comparison between In Silico and the Crystal Structures.