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Egyptian Journal of Medical Human Genetics
Fig. 2 | Egyptian Journal of Medical Human Genetics

Fig. 2

From: Integrated structure model-based virtual screening approaches identified anti-cancer agents against prostate cancer by targeting MAOB protein

Fig. 2

A The X-ray crystal structure of MAOB protein (PDB ID: 1s3b) was used to generate a 3D structure-based pharmacophore model of MAOB protein in combination with 46,781,908 (CID) ligands. B A number of pharmacophore features were generated following complex interaction; these include four yellow spheres, representing hydrophobic interaction; a shaded pink star shape, representing the positive ignitable with tolerance 2; three red arrows and spherical shapes, representing H bond acceptors with tolerance 1.5; and five hydrogen bond donors, represented by a green spherical or arrow shape

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