Computational methods for rational drug design /
"Drug design is the process of finding new medications based on the knowledge of a biological target. In the most basic sense, drug design involves the design of molecules that are complementary in shape and charge to the molecular target with which they interact and bind. Frequently, it relies...
| Other Authors: | |
|---|---|
| Format: | eBook |
| Language: | English |
| Published: |
Hoboken, New Jersey. :
Wiley,
[2025]
|
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Molecular modeling and drug design
- Bioactive small molecules and drug discovery
- Novel drug targets for small molecule-based drug discovery
- Computer-assisted methods and tools for structure- and ligand-based drug design
- Virtual screening and lead discovery
- ADMET and physicochemical assessments in drug design
- In silico modelling and drug design
- Pharmacophore modelling in drug design
- Scaffold hopping and de novo drug design
- Fragment-based drug design and drug discovery
- AI/ML approaches in drug design
- Network-based methods in drug discovery
- Rational design of natural products for drug discovery
- Rational design of enzyme inhibitors and drug discovery
- Rational design of peptides and protein molecules in drug discovery
- Rational design of drugs for neurodegenerative disorders
- Rational design of anti-inflammatory therapeutics
- Rational design of antibacterials for multi-drug resistant infections
- Rational design of antiviral therapeutics
- Rational design of anticancer therapeutics
- Protac and Protide strategies in drug design
- Advancing Lung Cancer Treatment Through ALK Receptor-Targeted Drug Metabolism and Pharmacokinetics
- Targeting Intrinsically Disordered Proteins (IDPs) in Drug Discovery : Opportunities and Challenges.