The role of descriptors extracted from ligand-target interaction to improve conventional QSAR model performance in the realm of angiogenesis receptor modulation to fight cancer
The proposed receptor-dependent 4D-QSAR model provides enhanced accuracy and generalizability for small, diverse datasets. Its integration of LTI-derived descriptors makes it a valuable tool for early-stage lead optimization and supports rational multi-target drug design in oncology.
Authors
- Soroush Sardari (ORCID: https://orcid.org/0000-0003-2080-7402)
- Horacio Pérez‐Sánchez (ORCID: https://orcid.org/0000-0003-4468-7898)
- Mohammadreza Torabi (ORCID: https://orcid.org/0000-0003-1938-3569)
- Fahimeh Ghasemi (ORCID: https://orcid.org/0000-0001-9333-4699)
Institutions
- Pasteur Institute of Iran (IR)
- Biotechnology Research Center (IR)
- Universidad Católica de Murcia (ES)
- Tehran University of Medical Sciences (IR)
Publication Details
- Journal
- Future Medicinal Chemistry
- Published
- 2025-08-03
- DOI
- https://doi.org/10.1080/17568919.2025.2545166
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00