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In-silico analysis and identification of novel lead molecule for human IGFBP-4 involved in cardiovascular diseases Nature Precedings
Kavali Roopesh; Manne Munikumar; Amineni Umamaheswari.
Cardiovascular disease is the major cause of disability and premature death throughout the world and contributes substantially to the escalating costs of health care. Insulin like growth factor binding protein 4 (IGFBP-4) mainly belongs to the family of IGFB protein. Over expression of IGFBP-4 leads to cardiovascular diseases namely stroke, acute myocardial infarction and heart failure. IGFBP-4 serves as an effective drug target against cardiovascular disease. Hence, ligand based virtual screening was persuaded in the present study to propose potential inhibitors of IGFBP-4. Two inhibitors (mainly from literature search) were selected to initiate high throughput virtual screening from small molecule databases namely, NCI, ChemBank, ChemPDB, AKos GmbH,...
Tipo: Presentation Palavras-chave: Cancer; Bioinformatics.
Ano: 2011 URL: http://precedings.nature.com/documents/6530/version/1
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Identification of potent inhibitors for p38δ MAPkinase of human through in silico analysis Nature Precedings
Naga Lakshmi M; Manne Munikumar; Dibyabhaba Pradhan; Amineni Umamaheswari.
P38δ Mitogen activated protein kinase is a serine/threonine protein kinase that participates in signaling cascades, mediating cellular responses to cytokinines, UV radiation, hyperosmotic stress, inducing keratinocyte differentiation and regulating apoptosis. Over expression of p38δ leads to tumor development by impairing the ERK1/2 –AP1 pathway that is critically linked to the control of cell proliferation and tumorigenesis on skin which was experimentally proven in knockout mice. Therefore, herein, a computational approach was undertaken to design novel inhibitors against p38delta for effective cancer therapy. The tertiary structure of p38δ was retrieved from a protein databank and active sites were predicted from...
Tipo: Poster Palavras-chave: Cancer; Pharmacology; Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/5459/version/1
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Structural insight to Streptococcus mitis thymidylate kinase: a potential common drug target of infective endocarditis Nature Precedings
Vani Priyadarshini; Dibyabhaba Pradhan; Manne Munikumar; Amineni Umamaheswari.
The incidence of infective endocarditis (IE) represents the fourth leading cause of life-threatening infectious disease with a yearly incidence of 15,000 to 20,000 new cases despite advances in antimicrobial therapy, development of better diagnostic and surgical techniques. The diverse group of causative microbes of IE is one of major obstacle towards development of effective antimicrobial drug. This has triggered exploration of common potential novel drug target from available whole genome sequences of predominant pathogens causing IE in SVIMS hospital through comparative subtractive genomic approach and metabolic pathway analysis. Streptococcus mitis is the most predominant IE pathogen in SVIMS hospital. Thymidylate kinase of Streptococcus mitis plays a...
Tipo: Poster Palavras-chave: Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/5158/version/1
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Implementation of computational methods for designing potential inhibitors against human p38α protein Nature Precedings
Durga Devi M; Dibyabhaba Pradhan; Manne Munikumar; Amineni Umamaheswari.
p38α, a non-receptor serine/threonine kinase, plays an essential role in cell proliferation, cell differentiation, apoptosis, production of cytokines such as IL1β and TNFα, senescence and tumorigenesis. Over expression of p38α enhances the production of cytokines, leading to inflammation causing cancers. Therefore, the protein p38α is selected as a target for the inhibition of progression of inflammatory cancers. SB203580, BIRB796, 2H-quinolizine-2-one, 7-alkyl-1,5-bis–aryl-pyrazolo pyridinones, aML3403, N-pyrimidyl amides, Fused pyrazoles, SD0006, 4-3-(4-fluoro phenyl )-1H-pyrazol-4-yl)pyridine are the nine published inhibitors for the p38α, but they show side effects like liver...
Tipo: Poster Palavras-chave: Cancer; Molecular Cell Biology; Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/5456/version/1
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Para-(benzoyl)-phenylalanine as a potential inhibitor against leptospirosis Nature Precedings
Dibyabhaba Pradhan; Vani Priyadarshini; Manne Munikumar; Amineni Umamaheswari.
Leptospirosis is a zoonotic disease of global concern caused by Leptospira interrogans. Subtractive genomic approach, metabolic pathway analysis and multi strain genome comparisons of Leptospira interrogans serovars had proposed 88 common drug targets from 5,124 genes of serovar Copenhageni and 4,727 genes of serovar Lai. Three potential drug targets (lpxC, lpxD and lpxB) were identified from Lipid A biosynthesis process of lipopolysaccharide (LPS) biosynthesis pathway. Lipid A is one of the three components of LPS that contains multiple hydrophobic fatty acid chains which anchor the LPS into the bacterial membrane. Designing inhibitory drug molecules targeting Lipid A biosynthesis would dissolve the structural integrity of membrane structure leading to...
Tipo: Poster Palavras-chave: Bioinformatics.
Ano: 2011 URL: http://precedings.nature.com/documents/5636/version/1
Registros recuperados: 5
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