In Silico Screening of Mutated K-Ras Inhibitors from Malaysian Typhonium flagelliforme for Non-Small Cell Lung Cancer

Table 2

Binding affinity values obtained for the control and test ligands.

Protein	Binding affinity Kcal/mol
	Control	Pheophorbide A	Pheophorbide A′	Pyropheophorbide A	1-Hexadecene	Hexadecanoic acid
G12D mutated K-ras GDP SOS binding pocket (4DST)	−5.4	−7.2	−7.5	−7.1	−4.0	−4.1
G12C mutated K-ras GDP allosteric binding pocket (4LUC)	−8.0	−7.0	−6.8	−7.3	−4.8	−4.6
G12C mutated K-ras GDP allosteric binding pocket (4LYF)	−6.7	−6.7	−6.6	−6.5	−4.5	−5.0