Chronic Chagas Disease and Potential Natural Products

Slides:

Advertisements

Similar presentations

TIE REGIONAL SUMMITS 1 ST OF 5 SETTING DIRECTION AND LEADING THE WAY By: Dr. Pam Lange TIE Development Coordinator.

Advertisements

Development of on-line database & tool for protein interface analysis Suk-hoon Jung.

Bioinformatics Vol. 21 no (Pages ) Reporter: Yu Lun Kuo (D )

Enhancing the C-48 STAT3 Inhibitor

Japanese Friendship Garden Mobile Tour 7/3/2013 VisLab Osaka, Japan JESUS RIOS.

Improving Data Entry of CD4 Counts March Welcome! The State Office of AIDS (OA) is continuing to work with providers to improve the quality of data.

Structure Investigation of Fam20C, A Golgi Casein Kinase Sharon Grubner National Taiwan University Second weekly report – July 3 rd, 2013.

Click Here. Choose Shop Click Here Choose Enter.

From a campus computer lab : click ‘Find Articles’ From wi-fi, your dorm room data drop, or an off-campus location : click ‘Off- Campus Access’ and LOGIN.

1 Accessing the OHIP Data Portal October 15, 2012.

Japanese Friendship Garden Mobile Tour 7/17/2013 VisLab Osaka, Japan JESUS RIOS.

TimeTrex Electronic Signature Process. Welcome to the new totally electronic TimeTrex System The purpose of this presentation is to explain how the electronic.

 Finding Scholarly Research on Your Topic. Your Research Journey…  You have, at this point, found information on your topic from general sources – news.

Cardiac Modeling of Steady-State Transients in the Ventricular Myocyte Raymond Tran University of Queensland July UCSD PRIME.

Cardiac Modeling of Steady-State Transients in the Ventricular Myocyte Raymond Tran University of Queensland July UCSD PRIME.

PHY131H1F Class 3 Today: Error Analysis Significant Figures Unit Conversion Normal Distribution Standard Deviation Reading Error Propagation of Errors.

Using a Grid Enabled, Virtual Screening Platform to Discover Unique Inhibitors for SSH-2 Phillip Pham University of California, San Diego.

Fabian Lema Wk3 Remote Monitoring of Android Devices Using Inca Framework University Of Queensland, Australia July 17, 2013.

Structure Investigation of Fam20C, A Golgi Casein Kinase Sharon Grubner National Taiwan University Third Weekly report – July 10 th, 2013.

Nara Institute of Science and Technology, Nara Prefecture, Japan CONFIGURATION AND DEPLOYMENT OF A SCALABLE VIRTUAL MACHINE CLUSTER FOR MOLECULAR DOCKING.

Giving a talk in Chicago called “Simple Tools for Better Care, Chronic Disease Management through Patient Centered Collaborative Care. This phone conversation.

Thinh Nguyen Material Manipulation Using the Leap Motion Osaka University July 17, 2013.

1 Transaction or Issue Clean Up. 2 Linked-Address Issue Multiple ESI IDs Linked to a Single Service Address Record Background Counts Matrix Completed.

Nara Institute of Science and Technology, Nara Prefecture, Japan CONFIGURATION AND DEPLOYMENT OF A SCALABLE VIRTUAL MACHINE CLUSTER FOR MOLECULAR DOCKING.

Chronic Chagas Disease and Potential Natural Products National Taiwan University Hanne Inez Wolff July 17 th, 2013.

June 14, 2010 Sunflower Project Monthly Conversion Meeting – June.

SURCHARGE REPORT RateWave Tariff Services, Inc. August 2010.

Fabian Lema Wk6 Remote Monitoring of Android Devices Using Inca Framework University Of Queensland, Australia August 7, 2013.

Trans-Sialidase’s Role in Chronic Chagas Disease, and it’s Potential for Infection Inhibition by Employing Natural Products National Taiwan University.

Cardiac Modeling of Steady-State Transients in the Ventricular Myocyte Raymond Tran University of Queensland July UCSD PRIME.

Japanese Friendship Garden Mobile Tour 7/10/2013 VisLab Osaka, Japan JESUS RIOS.

WRITING COMPLIANT IEP’S Department of Special Education Rina Sutaria December 10, 2013.

Nara Institute of Science and Technology, Nara Prefecture, Japan CONFIGURATION AND DEPLOYMENT OF A SCALABLE VIRTUAL MACHINE CLUSTER FOR MOLECULAR DOCKING.

Copyright © 2007 CreditXpert Inc. All rights reserved. CreditXpert® is a registered trademark of CreditXpert Inc. Close More Loans With.

Japanese Friendship Garden Mobile Tour 8/8/2013 VisLab Osaka, Japan JESUS RIOS.

Fabian Lema Wk4 Remote Monitoring of Android Devices Using Inca Framework University Of Queensland, Australia July 24, 2013.

Installation and Integration of Virtual Clusters onto Pragma Grid NAIST Nara, Japan Kevin Lam 07/17/13.

S ENSOR P OD C ONFIGURATION AT TFRI WITH PRIME W EEK 8 Thaddeus Trinh August 21, 2013.

Potential NEALP candidates Where is the data input site?

HOW TO SET UP YOUR LAB NOTEBOOK COMPREHENSIVE LAYOUT OF YOUR NOTEBOOK.

TGai SB3000 Comment Overview

FIN 324 Week 4 DQ 7 How does extending credit affect working capital requirements and the cash conversion period? To purchase this material click below.

PSY 490 Week 1 Summary Write and present a summary of how this week’s readings and activities have affected your thought process regarding any aspect of.

PSY 490 Week 2 Summary Write and present a summary of how this week’s readings and activities have affected your thought process regarding any aspect of.

PSY 490 Week 3 Summary Write and present a summary of how this week’s readings and activities have affected your thought process regarding any aspect of.

PSY 490 Week 4 Summary Write and present a summary of how this week’s readings and activities have affected your thought process regarding any aspect.

IT 210 Week 7 DQ 2 To purchase this material link 210-Week-7-DQ-2 For more courses visit our website

Prepared By: Bobby Wan Microsoft Access Prepared By: Bobby Wan

Conference Finance Services

Installation and Integration of Virtual Clusters onto Pragma Grid

Chronic Pain in End-Stage Renal Disease

California Payroll Conference

Sensor Pod Configuration at TFRI with PRIME Week 4

“Structure Based Drug Design for Antidiabetics”

Structure Investigation of Fam20C, A Golgi Casein Kinase

Updating Open Ticket.

A simple “HOW TO “ for all club executives to follow

Information System Analysis

Chronic Pain in End-Stage Renal Disease

Manual Water Ski Directory

Chronic Chagas Disease and Potential Natural Products

Japanese Friendship Garden Mobile Tour 8/1/2013 VisLab Osaka, Japan

First and Last name homeroom

Cardiac Modeling of Steady-State Transients in the Ventricular Myocyte

Cardiac Modeling of Steady-State Transients in the Ventricular Myocyte

Chronic Chagas Disease and Potential Natural Products

Volume 84, Issue 4, Pages (April 2003)

Navigating the Deubiquitinating Proteome with a CompPASS

Chronic Chagas Disease and Potential Natural Products

Presentation transcript:

Chronic Chagas Disease and Potential Natural Products National Taiwan University Hanne Inez Wolff July 17th, 2013

Progress to Date Continued to dock compounds despite the fact that some might be bad structures Started to analyze the top ranking compounds -------------------------------------------------------------------------------------------------------------- Rank File Name Binding Affinity 1 bisisodiospyrin_pg3_out.pdbqt -12.7 2 346_diacetoxy_pg35_out.pdbqt -12.6 3 188_Amentoflavone_pg19_out.pdbqt -12.2 4 623_pg63_out.pdbqt -11.9 5 186_Heveaflavone_pg19_out.pdbqt -11.8 6 187_PodocarpusflavoneA_pg19_out.pdbqt -11.8 7 154_TaiwanhomoflavoneB_pg16_out.pdbqt -11.7 8 189_dimethoxyAmentoflavone_pg19_out.pdbqt -11.7 9 425_22epiHippuristan11one_pg43_out.pdbqt -11.3 10 622_Pinocembrin_pg63_out.pdbqt -11.2

NAME OF STRUCTURE: (#346 in database, located on page 35) Questions Regarding #2 Structure directly converted from the Natural Product Database. Very flat. Same structure, but redrawn using MarvinSketch. Here the structure appears to have a three dimensional structure. NAME OF STRUCTURE: (#346 in database, located on page 35) (1S*,2S*,5Z,7S*,8S*,9S*,10S*,11R*,12R*,13Z,17R*)-2,12-diacetoxy-8,17-epoxy-9-hydroxybriara-5,13-dien-18-one

Questions Regarding #2 This error indicates that there might be an issue with MarvinSketch converting the compounds from 2D to 3D, or This problem could be linked back to the fact that some structures are erroneous in the database, and hopefully this will be resolved as soon as I get the updated compounds. Or, the structure is actually flat, and the conversion is correct. The dimensionality is vital to know, since it directly affects the binding affinity of the ligand to the protein. If the structure is planar, then the affinity is -12.6 kcal/mol Otherwise the structure has an affinity of -9.0 kcal/mol

Next Week Goals I will have access to the corrected structures, and I will continue to dock natural products to ligand 1S0J.

Cultural Aspect

Cultural Aspect

I Would Like to Extend a Thanks to... University of California, San Diego Gabriele Wienhausen Peter Arzberger Dr. Phil Bourne Chirag Krishna National Taiwan University Dr. Jung-Hsin Lin Dr. Jung-Hsin Lin’s lab, and finally Tosh Nomura Eureka! Foundation for making this trip possible