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Search: onr:"swepub:oai:DiVA.org:liu-76543" > Modeling of Molecul...
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 03957naa a2200385 4500 | |
| 001 | oai:DiVA.org:liu-76543 | |
| 003 | SwePub | |
| 008 | 120411s2012 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-765432 URI |
| 024 | 7 | a https://doi.org/10.1371/journal.pone.00283952 DOI |
| 040 | a (SwePub)liu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Panigrahi, Soumyau Lerner Research Institute, Cleveland, Ohio, USA4 aut |
| 245 | 1 0 | a Modeling of Molecular Interaction between Apoptin, BCR-Abl and CrkL - An Alternative Approach to Conventional Rational Drug Design |
| 264 | c 2012-01-10 | |
| 264 | 1 | b Public Library of Science,c 2012 |
| 338 | a electronic2 rdacarrier | |
| 500 | a Funding Agencies|Memorial University||College of the North Atlantic, Clarenville Campus||Canada Research Chair program||Linkoping University, Integrative Regenerative Medicine Center (IGEN)||Cancerfonden|CAN 2011/521| | |
| 520 | a In this study we have calculated a 3D structure of apoptin and through modeling and docking approaches, we show its interaction with Bcr-Abl oncoprotein and its downstream signaling components, following which we confirm some of the newly-found interactions by biochemical methods. Bcr-Abl oncoprotein is aberrantly expressed in chronic myelogenous leukaemia (CIVIL). It has several distinct functional domains in addition to the Abl kinase domain. The SH3 and SH2 domains cooperatively play important roles in autoinhibiting its kinase activity. Adapter molecules such as Grb2 and CrkL interact with proline-rich region and activate multiple Bcr-Abl downstream signaling pathways that contribute to growth and survival. Therefore, the oncogenic effect of Bcr-Abl could be inhibited by the interaction of small molecules with these domains. Apoptin is a viral protein with well-documented cancer-selective cytotoxicity. Apoptin attributes such as SH2-like sequence similarity with CrkL SH2 domain, unique SH3 domain binding sequence, presence of proline-rich segments, and its nuclear affinity render the molecule capable of interaction with Bcr-Abl. Despite almost two decades of research, the mode of apoptins action remains elusive because 3D structure of apoptin is unavailable. We performed in silico three-dimensional modeling of apoptin, molecular docking experiments between apoptin model and the known structure of Bcr-Abl, and the 3D structures of SH2 domains of CrkL and Bcr-Abl. We also biochemically validated some of the interactions that were first predicted in silica. This structure-property relationship of apoptin may help in unlocking its cancer-selective toxic properties. Moreover, such models will guide us in developing of a new class of Potent apoptin-like molecules with greater selectivity and potency. | |
| 653 | a MEDICINE | |
| 653 | a MEDICIN | |
| 700 | 1 | a Stetefeld, Joergu University of Manitoba, Winnipeg, Canada4 aut |
| 700 | 1 | a Jangamreddy, Jaganmohan R.u Linköpings universitet,Cellbiologi,Hälsouniversitetet4 aut0 (Swepub:liu)jagre79 |
| 700 | 1 | a Mandal, Somau University of Manitoba, Winnipeg, Canada4 aut |
| 700 | 1 | a Mandal, Sanat K.u Memorial University of Newfoundland, Canada4 aut |
| 700 | 1 | a Los, Marek Janu Linköpings universitet,Cellbiologi,Hälsouniversitetet4 aut0 (Swepub:liu)marlo14 |
| 710 | 2 | a Lerner Research Institute, Cleveland, Ohio, USAb University of Manitoba, Winnipeg, Canada4 org |
| 773 | 0 | t PLOS ONEd : Public Library of Scienceg 7:1, s. 6-20q 7:1<6-20x 1932-6203 |
| 856 | 4 | u https://liu.diva-portal.org/smash/get/diva2:515119/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print |
| 856 | 4 | u https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0028395&type=printable |
| 856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-76543 |
| 856 | 4 8 | u https://doi.org/10.1371/journal.pone.0028395 |
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