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| Kanipakam Hema; Sadnala Giribabu; Sandeep Swargam; Amineni Umamaheswari. |
| Human pancreatic ribonuclease (RNase1) is a small digestive and pyramidine specific enzyme secreted by the pancreas. RNase1 contributes in the regulation of extracellular RNA by hydrolyzing RNA phosphodiester bonds. High levels of RNase1 in cardiovascular disease patients project the enzyme as an attractive drug target. The known RNase1 inhibitors, citric acid and U1S were searched for structural analogs from Ligand.info database to compile 783 ligands. The ligands' 3D structures and their tautomeric states were generated using LigPrep. The 3424 prepared conformations were subjected to QikProp analysis and filtered based on Lipinski rule of five and zero reactive functional group. The 3376 conformations with good ADME (absorption, desorption,... |
| Tipo: Poster |
Palavras-chave: Cancer; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6527/version/1 |
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| Sandeep Swargam; K Mahesh; Amineni Umamaheswari. |
| Human myotrophin is the smallest ankyrin repeat protein implicated as a factor to induce cardiac hypertrophy. Activation of myotrophin was observed during acute myocardial infarction (MI). In acute coronary syndrome (ACS) patients, myotrophin acts as a self-governing predictor of major adverse cardiac events (MACE). Therefore, human myotrophin serves as an effective drug target for discovery of new potential drugs. Recent human myotropin inhibitors have poor pharmalogical properties leading to intolerable side effects. Hence, ligand based virtual screening protocol of CADD method was persuaded in the present study to propose new class potential myotrophin inhibitors. Docking was done by using Schrödinger software suite 2010 (maestro v9.1), docked... |
| Tipo: Poster |
Palavras-chave: Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6562/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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