In SilicoScreening of Mutated K-Ras Inhibitors from MalaysianTyphonium flagelliformefor Non-Small Cell Lung Cancer

[摘要] K-rasis 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 flagelliformeor Keladi Tikus is a local plant known to possess anticancer properties. The whole extract is considered more potent than individual constituents. Since K-rasis 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 ofTyphonium flagelliformewere docked into the allosteric surface pockets and switch regions of the K-rasprotein to identify possible inhibitors. The selected ligands were found to have a high binding affinity for the switch II and the interphase region of theras-SOS binding surface.

[学科分类] 生物技术