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Lead identification and docking studies of metastatic protein human mitogen activated protein kinase kinase4 Nature Precedings
Harika Meduru; Dibyabhaba Pradhan; Manne Munikumar; Amineni Umamaheswari.
Human dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) is a direct activator of MAP kinases in response to various environmental stresses or mitogenic stimuli. Upon phosphorylation, MAP2K4 has been shown to activate MAPK8, MAPK9 and MAPK14/p38 but not MAPK1/ERK2 or MAPK3/ERK1. Over expression of MAP2K4 causes carcinogenic effects, such as ovarian cancer, colorectal cancer, prostate cancer and pancreatic cancer. Our present study was carried out to design a potent drug molecule against MAP2K4 to control over expression. As there is no experimentally determined structure for MAP2K4, the homology modeling technique of Modeller9v7 was implemented to generate a MAP2K4 3D model based on the co-crystal structure of MAP2K6 (PDB ID: 3FME) with...
Tipo: Poster Palavras-chave: Cancer; Pharmacology; Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/5457/version/1
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In-silico identification of potential antagonists for human Casein kinase II subunit alpha' (CK2α2) Nature Precedings
Kanipakam Hema; Harika Meduru; Navya Pallapotu; Amineni Umamaheswari.
Human CK2α2 is an enzyme that belongs to the Serine/Threonine protein kinase family which is involved in signal transduction. Over expression of CK2α2 causes kidney cancer therefore, human CK2α2 has been identified as a drug target for the development of potential antagonists against cancer therapy. The existing human CK2α2 inhibitors in clinical practice are having side effects like fatigue, diarrhea, nausea, anorexia and vomiting. High-throughput virtual screening is one of the most common method used to identify lead compounds was implemented in the present study to identify potential inhibitors of human CK2α2. The co-crystal structure of human CK2α2 was retrieved from the protein data bank. A...
Tipo: Poster Palavras-chave: Bioinformatics.
Ano: 2012 URL: http://precedings.nature.com/documents/6958/version/1
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