Reprint
Computational Methods in the Design of Anticancer Drugs
Edited by
April 2024
238 pages
- ISBN978-3-7258-0814-4 (Hardback)
- ISBN978-3-7258-0813-7 (PDF)
This book is a reprint of the Special Issue Computational Methods in the Design of Anticancer Drugs that was published in
Biology & Life Sciences
Chemistry & Materials Science
Medicine & Pharmacology
Summary
The present reprint collects all the contributions included in the Special Issue entitled "Computational Methods in the Design of Anticancer Drugs". The final collection consists of nine articles and two reviews, covering different targets and computational approaches, demonstrating the role of computer-aided drug design in anticancer research. All scientists interested in this topic are encouraged to explore this Special Issue.
Format
- Hardback
License
© 2024 by the authors; CC BY-NC-ND license
Keywords
cancer; drug repurposing; pharmacophore model; CK1ε; etravirine; abacavir; MEK1; flavonoids; virtual screening; molecular docking; ADMET; molecular dynamic (MD) simulation; NSCLC; EGFR TKI; PBPK modeling; PET/CT; NAPRT inhibitors; cancer metabolism; NAD; anti-cancer agents; NAMPT; NAD synthesis; in silico drug design; NAPRT inhibitors; NAD biosynthesis; Preiss–Handler pathway; OVCAR-5; bioactive molecules; NAMPT; molecular design; virtual screening; cancer; PLK1; kinase; 3D-QSAR; molecular docking; inhibitors; fatty acid binding protein; FABP4; FABP4is; FABP4 inhibitors; pyridazinone; computing assisted molecular design; artificial intelligence; machine learning; neoplasms; drug design; databases; docking; binding free energy; pharmacophore; atom-based QSAR; alkylhydrazide; histone deacetylases (HDAC); cancer; AKT; computer-aided drug discovery; virtual screening; docking; pharmacophore; kinase inhibitors; machine learning; QSAR; cancer immunotherapy; PD-1; PD-L1; computational studies; docking; molecular dynamics; virtual screening; n/a