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| Registros recuperados: 10 | |
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| Manne MuniKumar; Kavali Roopesh; 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 pursued in the present study to propose potential inhibitors of IGFBP-4. Two published inhibitors were selected to initiate high throughput virtual screening from small molecule databases namely, NCI, ChemBank, ChemPDB, AKos GmbH, Asinex Ltd and KEGG ligand.... |
| Tipo: Poster |
Palavras-chave: Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6567/version/1 |
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| Mahesh Babu G; Pradeep N.; Dibyabhaba Pradhan; Manne MuniKumar; Amineni Umamaheswari. |
| Cell cycle progression through mitosis and meiosis involves regulation by serine/threonine kinases from the aurora family. Aurora kinase b (Aurkb) is mainly involved in the proper segregation of chromosomes during mitosis as well as meiosis. However, over expression of Aurkb leads to the unequal distribution of genetic information creating aneuploid cells, a hallmark of cancer. Thus, Aurkb can be used as an effective molecular target for computer-aided drug discovery against cancer. Existing Aurkb inhibitors are less efficient, hence an in silico work was carried out to identify novel potent inhibitors. Three published inhibitors azd1152, zm447439 and N-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy) quinazolin- 4-yl] amino} phenyl) benzamide were subjected to... |
| Tipo: Poster |
Palavras-chave: Cancer; Pharmacology; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/5458/version/1 |
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| Karuna J. Jaya Sai; Dibyabhaba Pradhan; Amineni Umamaheswari. |
| Human proto-oncogene tyrosine-protein kinase YES (YES) is a non receptor kinase belongs to Src family. This gene lies in close proximity to thymidylate synthase gene on chromosome 18, and a corresponding pseudogene has been found on chromosome 22. In hepatocellular carcinoma and colorectal carcinoma elevated human YES activity was observed. Inhibitors of human YES reported till date are in clinical trials and associated with several side effects. The present study was mainly aimed in homology modeling of human YES and discovery of novel lead molecules that inhibit YES kinase more efficiently with fewer side effects. Virtual screening and docking techniques were applied to identify novel lead molecule of YES kinase. As there was no reported human YES... |
| Tipo: Poster |
Palavras-chave: Cancer; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4902/version/1 |
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| 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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| Nagapriya Mahanandi; Dibyabhaba Pradhan; Amineni Umamaheswari. |
| The first oncogene and the first non receptor tyrosine kinase, Src, plays a key role in cell morphology, motility, proliferation and survival. Over expression of Src kinase activity disrupts the RAS pathway in signaling pathway, where it loses its ability to hydrolyse GTP and thus, leads to cancer. A wide range of evidences indicated that Src-signaling was important in the oncogenesis of prostate cancer and other tumours. Src-signaling is involved in androgen-induced proliferation of prostate cancer in cancer tissue of patients having castration-refractory prostate cancer. Once prostate cancer becomes castration-resistant, bone metastases become significant problem for which treatment options are limited. As Src is involved in multiple signaling pathways,... |
| Tipo: Poster |
Palavras-chave: Cancer; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4905/version/1 |
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| Sandeep Swargam; Dibyabhaba Pradhan; Amineni Umamaheswari. |
| The advancement in therapeutic applications focused on specific macromolecular compounds of deregulated cell signaling pathways bestowed novel approach to design the ligands as drug molecules against several life threatening diseases such as Cancer. In humans, protein kinase A is one of the important kinases those were involved in cell signaling mechanism. cAMP, G-proteins and ATP molecules were required for activation of protein kinase A (PKA), upon activation, PKA catalytic subunits (PRKACA,PRKACB and PRKACG) undergoes many cellular functions like cell proliferations, cell cycle regulation, and survival of cells through acting on many substrates. Overexpression of extracellular cAMP dependent protein kinase A catalytic subunits (PRKACA) causes severe... |
| Tipo: Poster |
Palavras-chave: Cancer; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4903/version/1 |
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| M Sandhya rani; Manne Munikumar; Amineni Umamaheswari. |
| Insulin like growth factor-II (IGF2) is a member of IGF family, the main role of IGF2 is as a growth hormone during gestation or fetal development. Ischematic stroke, atherosclerosis and pathological cardiac hypertrophy are associated with low circulating levels of IGF2. 5-aza-2’-deoxycytidine increases the activity of IGF2, due to high toxicity of 5aza2’deoxycytidine, some silenced genes are also expressed that cause various cancer diseases. In the present study an in silico approach was used to design the potential activator for IGF2 without side effects to treat cardiovascular diseases. Ligand binding sites were predicted using CASTp for drug target. 361 ligand analogs for 5-aza-2’-deoxycytidine were identified through... |
| Tipo: Presentation |
Palavras-chave: Pharmacology; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6558/version/1 |
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| Naveen Kadaari; Dibyabhaba Pradhan; Manne Munikumar; Amineni Umamaheswari. |
| B-cell chronic lymphocytic leukemia (CLL) is the most prevalent B-cell malignancy in adults. Despite advances in treatment, the disease remains incurable, warranting further efforts to identify novel molecular targets and inhibitors. Spleen tyrosine kinase (SYK) plays a pivotal role for B-lymphocyte development and maturation in the B-cell receptor (BCR) signaling pathway and hence represents a potential therapeutic target for CLL. The present study is directed towards finding novel inhibitors of SYK through ligand based virtual screening. The co-crystal structure of SYK was investigated to locate active site residues (Glu-449, Ala-451 Arg-498, Asn-499, Ser-511, and Asp-512). Five SYK specific published inhibitors (Gleevec, staurosporine, Bay61-3606, R-406... |
| Tipo: Poster |
Palavras-chave: Cancer; Pharmacology; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/5460/version/1 |
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| Bhuvanagiri Sravani; Dibyabhaba Pradhan; Amineni Umamaheswari. |
| Design of potential drug-like candidates for cardiovascular therapy is of interest in recent years. Elevated level of IGFBP-6 leads to perilous diseases like atherosclerosis, high output cardiac failure and myocardial infarction. The current IGFBP-6 inhibitors available in clinical practice are not having satisfactory anti-cardiovascular effects, leaving room for further improvement. Therefore, with an aim to propose a potent inhibitor to arrest the cardiovascular disease caused by IGFBP-6, tools of computer-aided drug designing were used for virtual screening from small molecule databases. Accordingly, IGFBP-6 tertiary structure was solved through nuclear magnetic resonance techniques retrieved from the protein data bank. Fifteen IGFBP-6 inhibitors were... |
| Tipo: Presentation |
Palavras-chave: Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6525/version/1 |
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| 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 |
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| Registros recuperados: 10 | |
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