title: Molecular docking studies of anti-apoptotic BCL-2, BCL-XL, and MCL-1 proteins with ginsenosides from Panax ginseng.
abstract: Anti-apoptotic proteins such as BCL-2, BCL-XL and MCL-1 bind with pro-apoptotic proteins to induce apoptosis mechanism. BCL-2 family proteins are key regulators of apoptosis process. Over expression of these anti-apoptotic proteins lead to several cancers by preventing apoptosis. A number of studies revealed that ginseng derivatives reduce tumor growth. Ginseng, the most valuable medicinal herb found in eastern Asia belongs to Araliaceae family. In this study, docking simulations were performed for anti-apoptotic proteins with several ginsenosides from Panax ginseng. Our finding shows ginsenosides Rf, Rg1, Rg3 and Rh2 have more binding affinity with BCL-2, BCL-XL and MCL-1 and other ginsenosides also interact with each anti-apoptotic proteins. Therefore, ginseng derivatives represent a novel class of potent inhibitors and could be used for cancer chemotherapy.
authors.affiliation: Korean Ginseng Center and Ginseng Genetic Resource Bank, Kyung Hee University, 1 Seocheon, Yongin-si, Gyeonggi-do, South Korea.
authors.forename: Natarajan
authors.initials: N
authors.lastname: Sathishkumar
authors.forename: Subramaniyam
authors.initials: S
authors.lastname: Sathiyamoorthy
authors.forename: Mathiyalagan
authors.initials: M
authors.lastname: Ramya
authors.forename: Dong-Uk
authors.initials: DU
authors.lastname: Yang
authors.forename: Hee Nyeong
authors.initials: HN
authors.lastname: Lee
authors.forename: Deok-Chun
authors.initials: DC
authors.lastname: Yang
mesh_terms: D000595:Amino Acid Sequence; D036145:Ginsenosides / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D008969:Molecular Sequence Data; D064549:Myeloid Cell Leukemia Sequence 1 Protein; D005894:Panax / Q000737:chemistry*; D019253:Proto-Oncogene Proteins c-bcl-2 / Q000737:chemistry / Q000378:metabolism*; D017386:Sequence Homology, Amino Acid; D051020:bcl-X Protein / Q000737:chemistry / Q000378:metabolism*
chemical_list: D036145:Ginsenosides; D064549:Myeloid Cell Leukemia Sequence 1 Protein; D019253:Proto-Oncogene Proteins c-bcl-2; D051020:bcl-X Protein