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Uncovering the potential anti-cancer compounds from Strobilanthes cusia against colorectal cancer through network
Yogananthan Dhanapal1,2, Duraisamy Sridhar3, Sulekha Khute3
1School of Pharmacy, Joy University, Tirunelveli Dist, 627116, Tamil Nadu, India. dhanapal.sop@joyuniversity.edu.in.
Abstract:
Colorectal cancer (CRC) remains a major global health challenge owing to its therapeutic resistance and high recurrence rates, underscoring the need for mechanism-based interventions. Strobilanthes cusia (Nees) Kuntze, a medicinal herb traditionally used for inflammatory disorders, contains bioactive diterpenoids and alkaloids with anticancer potential. However, the molecular mechanisms underlying this process in CRC remain unclear. This study evaluated sequential Soxhlet extracts of S. cusia leaves using integrated in-vitro and in-silico methods. Among the n-hexane, chloroform, ethanol, and aqueous fractions, the ethanolic extract exhibited the highest cytotoxicity against HCT-116 and SW-620 CRC cells, with IC50 values of 54.37 and 77.52 µg/mL, respectively. GC-MS analysis identified 13 phytoconstituents, and andrographolide was isolated for the first time from S. cusia and structurally characterized using UV-Visible, FTIR, and NMR spectroscopy. Network pharmacology analysis identified checkpoint kinase 1 (CHEK1) as a central target. Molecular docking revealed favorable binding of andrographolide to CHEK1 (- 6.40 kcal/mol), comparable to that of the reference compound (- 6.30 kcal/mol), and molecular dynamics simulations confirmed complex stability. In vitro validation demonstrated dose-dependent apoptosis and proliferation inhibition in both cell lines, with significantly lower IC50 values at 48 h (isolated: 10.52 ± 1.91µM; commercial: 8.96 ± 9.35µM) than at 24 h. These findings identify CHEK1 as a mechanistically relevant target and support further translational investigation of S. cusia-derived andrographolide in CRC therapy.
Insights
Strobilanthes cusia extract shows anticancer effects against colorectal cancer (CRC) by inhibiting proliferation and inducing apoptosis. Andrographolide, isolated from the herb, targets checkpoint kinase 1 (CHEK1), a key molecule in CRC therapy.
Area of Science:
- Phytochemistry
- Molecular Biology
- Computational Biology
Background:
- Colorectal cancer (CRC) presents significant therapeutic challenges due to resistance and recurrence.
- Medicinal herbs like Strobilanthes cusia possess bioactive compounds with potential anticancer properties.
- The precise molecular mechanisms of S. cusia in CRC treatment are not well-understood.
Purpose of the Study:
- To investigate the anticancer potential of S. cusia extracts against CRC cells.
- To identify key molecular targets and active compounds involved in CRC inhibition.
- To explore the therapeutic efficacy of andrographolide, a compound isolated from S. cusia.
Main Methods:
- Sequential Soxhlet extraction and in-vitro cytotoxicity assays (HCT-116, SW-620 cells).
- Gas Chromatography-Mass Spectrometry (GC-MS) for phytoconstituent analysis and isolation of andrographolide.
- Network pharmacology, molecular docking, and molecular dynamics simulations to identify and validate targets.
- In-vitro apoptosis and proliferation assays to confirm therapeutic effects.
Main Results:
- The ethanolic extract of S. cusia demonstrated significant cytotoxicity against CRC cell lines.
- Andrographolide was identified as a key phytoconstituent and successfully isolated.
- Network pharmacology identified checkpoint kinase 1 (CHEK1) as a central target for andrographolide.
- Molecular docking and simulations confirmed favorable and stable binding of andrographolide to CHEK1.
- In-vitro studies confirmed that andrographolide induces apoptosis and inhibits proliferation in CRC cells in a dose-dependent manner.
Conclusions:
- S. cusia exhibits potent anticancer activity against colorectal cancer.
- Andrographolide is a promising therapeutic agent derived from S. cusia, targeting CHEK1.
- These findings support the further investigation of andrographolide for CRC treatment.
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