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Applications of Computational Tools in Drug Design and Development

This book provides a comprehensive overview of the role of computers and computational tools at different stages of drug discovery and development. Designed to meet the needs of a beginner to advanced learner, the book provides the information on the tools, how they work, with the latest reports on...

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Détails bibliographiques
Collectivité auteur: SpringerLink (Online service)
Autres auteurs: Rao G., S.N. Koteswara (Éditeur intellectuel), Alavala, Rajasekhar Reddy (Éditeur intellectuel)
Format: Électronique eBook
Langue:anglais
Publié: Singapore : Springer Nature Singapore : Imprint: Springer, 2025.
Édition:1st ed. 2025.
Sujets:
Pharmacology.
Bioinformatics.
Medicine > Research.
Biology > Research.
Pharmaceutical chemistry.
Chemoinformatics.
Biomedical Research.
Pharmaceutics.
Cheminformatics.
Accès en ligne:https://doi.org/10.1007/978-981-96-4154-3
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Table des matières:
  • Chapter 1. Computational simulation of drug delivery at the molecular level
  • Chapter 2. Computational modelling for formulation design
  • Chapter 3. Computational fluid dynamics-the revolutionary innovative methodology in pharmaceutical industry
  • Chapter 4. Population Modelling
  • Chapter 5. Design of Experiments: Understanding optimization
  • Chapter 6. Computational modelling of pharmaceutical die filling processes
  • Chapter 7. Inhalation Aerosol based Targeted Drug Delivery to upper airways: Computational fluid dynamics (CFD) Approach
  • Chapter 8. Pharmaceutical inhalation compounds development by using in silico modelling tools
  • Chapter 9. Computational tools employed in Cheminformatics
  • Chapter 10. Computational simulations as preformulation perspective for the delivery of Drugs
  • Chapter 11. Computational Tools for Solubility prediction
  • Chapter 12. Advances in the Computational Prediction of Absorption of Pharmaceuticals
  • Chapter 13. Protein Binding Prediction by Computational Methods
  • Chapter 14. Physiologically based Pharmacokinetic (PBPK) Modelling and Pharmacokinetic Pharmacodynamic (PKPD) Modelling
  • Chapter 15. Prediction of Bio-permeability of Pharmaceuticals with advanced dynamic simulation studies
  • Chapter 16. Accomplishment of Toxicity Prediction by CADD Tools
  • Chapter 17. Metabolism Prediction: Identification of potential sites of metabolism in Lead molecules
  • Chapter 18. Computer Assisted Simulation Studies for Identifying the Drug-Polymer Interactions
  • Chapter 19. Recent Advances in Drug likeness screening by using the Software and Online tools
  • Chapter 20. Mechanistic Understanding of the Anti-Alzheimer’s Agents with Computational Studies
  • Chapter 21. Advances in the design of novel antidiabetic agents by using in silico approaches
  • Chapter 22. Towards the mechanistic understanding of Atherosclerosis Drug Design
  • Chapter 23. Modern computational intelligence based drug repurposing for Cancer Therapeutics
  • Chapter 24. Computational analyses of mechanism of action of Antiepileptic Agents
  • Chapter 25. Rational Approaches and Designing Strategies for Antihypertensive Agents
  • Chapter 26. Drug discovery and computational strategies in the Multi-Drug Resistant Tuberculosis
  • Chapter 27. The Network Pharmacology Approach to Uncover the Pharmacological Mechanism of Natural Products.

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