1. "Using photolabile ligands in drug discovery and development"
◦ Publication Date: 2000-02-01
◦ DOI:10.1016/S0167-7799(99)01402-X
◦ Summary: Discusses three approaches: photoaffinity labeling, photoactivation and release of 'caged ligands', and photoimmobilization of ligands onto surfaces.
2. "Fragment databases from screened ligands for drug discovery (FDSL-DD)"
◦ Publication Date: 2023-11-01
◦ DOI:10.1016/j.jmgm.2023.108669
◦ Summary: Introduces a new method (FDSL-DD) that incorporates fragment characteristics into the drug development process.
3. "Virtual Screening Algorithms in Drug Discovery: A Review Focused on Machine and Deep Learning Methods"
◦ Publication Date: 2023-05-05
◦ DOI:10.3390/ddc2020017
◦ Summary: Reviews algorithms for virtual screening, highlighting the use of machine and deep learning
4. "The Opportunities and Challenges of Peroxisome Proliferator-Activated Receptors Ligands in Clinical Drug Discovery and Development"
◦ Publication Date: 2018-07-27
◦ DOI:10.3390/ijms19082189
◦ Summary: Provides an analysis of 84 types of PPAR ligands and their applications in clinical drug discovery.
5. "Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer’s Disease"
◦ Publication Date: 2021-04-08
◦ DOI:10.1021/acs.jmedchem.1c00048
◦ Summary: Reports the development of sustainable MTDLs derived from cashew nutshell liquid for Alzheimer's disease.
6. "Molecular Docking: Principles, Advances, and its Applications in Drug Discovery"
◦ Publication Date: 2022-09-22
◦ DOI:10.2174/1570180819666220922103109
◦ Summary: Reviews the principles and advances in molecular docking and its applications in drug discovery.
7. "NMR in drug discovery: A practical guide to identification and validation of ligands interacting with biological macromolecules"
◦ Publication Date: 2016-11-01
◦ DOI:10.1016/j.pnmrs.2016.09.001
◦ Summary: Introduces the concept of the validation cross to categorize experiments based on information content.
8. "Machine learning approaches and their applications in drug discovery and design"
◦ Publication Date: 2022-04-15
◦ DOI:10.1111/cbdd.14057
◦ Summary: Reviews machine learning approaches used in chemoinformatics for drug discovery.
9. "Network pharmacology: the next paradigm in drug discovery"
◦ Publication Date: 2008-11-01
◦ DOI:10.1038/nchembio.118
◦ Summary: Discusses the role of polypharmacology in tackling efficacy and toxicity in drug development.
10. "Advances in covalent drug discovery"
◦ Publication Date: 2022-08-25
◦ DOI:10.1038/s41573-022-00542-z
◦ Summary: Reviews KRAS(G12C) inhibitors and discusses ligand-first and electrophile-first strategies.
11. "Spotting and designing promiscuous ligands for drug discovery"
◦ Publication Date: 2016-01-05
◦ DOI:10.1039/c5cc07506h
◦ Summary: Discusses a computational tool for identifying promiscuous drug-like ligands.
12. "What is the current value of MM/PBSA and MM/GBSA methods in drug discovery?"
◦ Publication Date: 2021-06-24
◦ DOI:10.1080/17460441.2021.1942836
◦ Summary: Reviews methods for evaluating ligand-receptor interactions and binding free energy.
13. "Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches"
◦ Publication Date: 2020-10-01
◦ DOI:10.3390/molecules25204723
◦ Summary: Analyzes hybrid LB + SB computational schemes in virtual screening.
14. "Electrophilic warheads in covalent drug discovery: an overview"
◦ Publication Date: 2022-02-06
◦ DOI:10.1080/17460441.2022.2034783
◦ Summary: Reviews electrophilic warheads used for protein labeling in chemical biology and medicinal chemistry.
15. "Pharmacophore Modeling in Drug Discovery: Methodology and Current Status"
◦ Publication Date: 2021-06-29
◦ DOI:10.18596/jotcsa.927426
◦ Summary: Discusses the advancements in pharmacophore modeling integrated with other computational methods.