Title:Exploring the Therapeutic Potential of Ginkgo biloba Polyphenols in
Targeting Biomarkers of Colorectal Cancer: An In-silico Evaluation
Volume: 21
Issue: 6
Author(s): Sarra Hamdani, Hocine Allali*Salim Bouchentouf
Affiliation:
- Department of Chemistry, Faculty of Sciences, Abou Bekr Belkaïd University, P.O. Box 119, Tlemcen 13000, Algeria
- Laboratory of Natural and Bioactive Substances (LASNABIO), Department of Chemistry, Faculty of Sciences, Abou
Bekr Belkaïd University, P.O. Box 119, Tlemcen 13000, Algeria
Keywords:
Colorectal cancer, polyphenols, Ginkgo biloba, colorectal biomarkers, docking scoring, targeted genes.
Abstract:
Background: Colorectal cancer (CRC) is a major contributor to cancer-related deaths
worldwide, driving the need for effective anticancer therapies with fewer side effects. The exploration
of Ginkgo biloba, a natural source, offers a hopeful avenue for novel treatments targeting key colorectal
biomarkers involved in CRC treatment.
Objective: The aim of this study was to explore the binding affinity of natural molecules derived from
G. biloba to essential biomarkers associated with CRC, including Kirsten rat sarcoma virus, neuroblastoma
RAS mutations, serine/threonine-protein kinase B-Raf, phosphatidylinositol 3'-kinase, and
deleted colorectal cancer, using molecular docking. The focus of this research was to evaluate how
effectively these molecules bind to specified targets in order to identify potential inhibitors for the
treatment of CRC.
Methods: A total of 152 polyphenolic compounds from G. biloba were selected and subjected to
molecular docking simulations to evaluate their interactions with CRC-related biomarkers. The docking
results were analysed to identify ligands exhibiting strong affinities towards the targeted genes,
suggesting potential inhibitory effects.
Results: Docking simulations unveiled the strong binding affinities between selected polyphenolic
compounds derived from G. biloba and genes associated with CRC. The complex glycoside structures
that are found in flavonols are of significant importance. These compounds, including derivatives
with distinctive arrangements, exhibited promising docking scores, signifying substantial interactions
with the targeted biomarkers.
Conclusion: The study demonstrates the potential of G. biloba-derived molecules as effective anticancer
agents for colorectal cancer. The identified ligands exhibit strong interactions with crucial
CRC-related biomarkers, suggesting potential inhibition ability. Further in vitro and in vivo investigations
are needed to validate and build upon these promising findings, advancing the development
of novel and efficient CRC therapies.
