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Updated: Jul 20, 2026
A Method for Screening and Validation of Resistant Mutations Against Kinase Inhibitors
Published on: December 7, 2014
In Silico Screening of Mutated K-Ras Inhibitors from Malaysian Typhonium flagelliforme for Non-Small Cell Lung Cancer
1Department of Pharmaceutical Technology, Faculty of Pharmaceutical Sciences, UCSI University, Jalan Menara Gading 1, Taman Connaught, Cheras, 56000 Kuala Lumpur, Malaysia.
Abstract:
K-ras is an oncogenic GTPase responsible for at least 15-25% of all non-small cell lung cancer cases worldwide. Lung cancer of both types is increasing with an alarming rate due to smoking habits in Malaysia among men and women. Natural products always offer alternate treatment therapies that are safe and effective. Typhonium flagelliforme or Keladi Tikus is a local plant known to possess anticancer properties. The whole extract is considered more potent than individual constituents. Since K-ras is the key protein in lung cancer, our aim was to identify the constituents of the plant that could target the mutated K-ras. Using docking strategies, reported potentially active compounds of Typhonium flagelliforme were docked into the allosteric surface pockets and switch regions of the K-ras protein to identify possible inhibitors. The selected ligands were found to have a high binding affinity for the switch II and the interphase region of the ras-SOS binding surface.
Insights
This study investigated natural compounds from Typhonium flagelliforme to target K-ras, a key protein in lung cancer. Molecular docking identified potent inhibitors within the plant extract, offering potential new treatments for non-small cell lung cancer.
Area of Science:
- Oncology
- Pharmacognosy
- Computational Chemistry
Background:
- K-ras mutations drive 15-25% of non-small cell lung cancer (NSCLC).
- NSCLC incidence is rising globally, particularly in Malaysia, linked to smoking.
- Natural products offer potential safe and effective alternative cancer therapies.
Purpose of the Study:
- To identify constituents of Typhonium flagelliforme (Keladi Tikus) that can inhibit mutated K-ras.
- To explore the potential of local flora in developing novel lung cancer treatments.
Main Methods:
- Molecular docking simulations were employed.
- Potentially active compounds from Typhonium flagelliforme were docked into K-ras protein allosteric and switch regions.
Main Results:
- Selected compounds exhibited high binding affinity for K-ras.
- Inhibitory potential was observed at the switch II and ras-SOS binding interface.
Conclusions:
- Typhonium flagelliforme contains compounds that can potentially target mutated K-ras.
- These findings support the development of natural product-based therapies for NSCLC.
