In silico Identification and Computational Screening of Potential AFP Inhibitors Against Liver Cancer
The observed results of virtual screening, molecular docking, and MD simulation analyses entail noteworthy observations illustrating that NC002 was a potent inhibitor. The proposed compound NC002 may have potential against liver cancer by targeting AFP based on MD simulation analyses, PCA, and MM-GBSA.
Authors
- Faiz‐ul Hassan (ORCID: https://orcid.org/0000-0002-8781-0510)
- Hassan Waseem (ORCID: https://orcid.org/0000-0003-3246-1592)
- Asma Yaqoob (ORCID: https://orcid.org/0000-0002-6465-8763)
- Rana Adnan Tahir (ORCID: https://orcid.org/0000-0002-2738-7132)
- Hafiza Nisha Akram
- Sheikh Arslan Sehgal (ORCID: https://orcid.org/0000-0002-3901-5344)
- Azhar Iqbal (ORCID: https://orcid.org/0000-0001-7830-0685)
- Amina Khalid (ORCID: https://orcid.org/0000-0002-4819-898X)
- Muhammad Shakeel (ORCID: https://orcid.org/0000-0002-6240-5957)
- Noshaba Dilbar
- Saad Qamar
Institutions
- Islamia University of Bahawalpur (PK)
- Government Sadiq College Women University (PK)
- University of Okara (PK)
- Sultan Qaboos University (OM)
- University of Veterinary and Animal Sciences (PK)
Publication Details
- Journal
- Medicinal Chemistry
- Published
- 2025-02-12
- DOI
- https://doi.org/10.2174/0115734064330103250106034126
- Citations
- 3
- Primary Topic
- Genetics, Bioinformatics, and Biomedical Research
- Type
- article
- Field-Weighted Citation Impact
- 2.42