Metabolomics and Anticancer Potential of the Aerial Parts of Dryopteris ramosa against Cancerous Cell Lines Assisted with Advanced Computational Approaches
For multi-scale frames structural aberrations and fluctuations identification of the docked complexes, a molecular dynamics analysis was performed for a 100 ps simulation run by accessing the online tool of MDweb simulations. These molecular docking and simulation analyses also revealed that both the phytochemicals have a stable interaction with the cancer-related proteins BCL2 and 5P21.
Authors
- Muhammad Hamayun (ORCID: https://orcid.org/0000-0003-4264-5870)
- Mamoona Rauf (ORCID: https://orcid.org/0000-0001-7756-0741)
- Sajid Hussain (ORCID: https://orcid.org/0000-0003-4276-2372)
- Alaa S. Alhegaili (ORCID: https://orcid.org/0000-0002-0984-167X)
- Sajid Ali (ORCID: https://orcid.org/0000-0002-0696-3057)
- Anwar Hussain (ORCID: https://orcid.org/0000-0002-2539-2843)
- Sumera Afzal Khan (ORCID: https://orcid.org/0000-0002-6531-572X)
- Khalil Said
Institutions
- Prince Sattam Bin Abdulaziz University (SA)
- Kohat University of Science and Technology (PK)
- Abdul Wali Khan University Mardan (PK)
- University of Peshawar (PK)
- Yeungnam University (KR)
Publication Details
- Journal
- Current Pharmaceutical Design
- Published
- 2024-12-19
- DOI
- https://doi.org/10.2174/0113816128349549241025150229
- Citations
- 2
- Primary Topic
- Natural Compound Pharmacology Studies
- Type
- article
- Field-Weighted Citation Impact
- 1.20